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

Fmoc-Val-Cit-PAB-OH

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
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
No
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
44
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
6
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
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
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.

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