CAS 159858-22-7 Fmoc-Val-Cit-PAB-OH molecular structure

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CAS RN: 159858-22-7

Fmoc-Val-Cit-PAB-OH

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6 package records6 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251207	100g	In stock	Shanghai		Inquiry
Batchno.20251203	1g	In stock	Shanghai, Shenzhen, Wuhan, Chengdu		Inquiry
Batchno.20250208	250mg	In stock	Shanghai, Shenzhen, Tianjin, Chengdu		Inquiry
Batchno.20260328	250mg / 1g / 5g / 25g / 100g	Confirm by inquiry	Shanghai, Shandong	30 business days	Inquiry
Batchno.20250911	25g	In stock	Shanghai, Tianjin		Inquiry
Batchno.20251113	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu		Inquiry

Product code: SSC-067842

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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

Pack sizes on record: 1g, 10g, 0.25g, 5g, 25g, 100g
Available purity: >97%
Inventory rows with stock: 6
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159858-22-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>97%	5 In Stock	Shenzhen	Inquiry
10g	>97%	4 In Stock	Beijing	Inquiry
0.25g	>97%	3 In Stock	Hong Kong	Inquiry
5g	>97%	3 In Stock	Shanghai	Inquiry
25g	>97%	3 In Stock	Shenzhen	Inquiry
100g	>97%	2 In Stock	Hong Kong	Inquiry

159858-22-7 / 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Standard CAS: 159858-22-7 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

159858-22-7

Multi CAS

Molecular Formula

C33H39N5O6

Molecular Weight

601.700000

Exact Mass

601.290034

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27)31(41)37-28(12-7-17-35-32(34)42)30(40)36-22-15-13-21(18-39)14-16-22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,35,42)/t28-,29-/m0/s1

InChIKey

DALMAZHDNFCDRP-VMPREFPWSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

166.58

TPSA

171.88

LogP / Solubility

WLOGP

3.61

MLOGP

3.23

XLogP3

3.3

Consensus LogP

3.38

Log S (ESOL)

-5.29

Class (ESOL)

Slightly soluble

Log S (Ali)

-7.1

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.13

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.82

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Safety & Transport

GHS Hazard Statements

Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Applications of CAS 159858-22-7

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 159858-22-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Safety Information (GHS)

Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Store under inert gas. Avoid: Light Sensitive,Moisture Sensitive,Heat Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.