CAS 1496506-80-9 METHYL (2S,3S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-HYDROXYBUTANOATE molecular structure

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CAS RN: 1496506-80-9

METHYL (2S,3S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-HYDROXYBUTANOATE

Product code: SSC-059612

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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
Available purity: >95%
Inventory rows with stock: 5
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 1496506-80-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>95%	1 In Stock	Shenzhen	Inquiry
0.25g	>95%	1 In Stock	Beijing	Inquiry
1g	>95%	1 In Stock	Beijing	Inquiry
5g	>95%	1 In Stock	Hong Kong	Inquiry
10g	>95%	1 In Stock	Shanghai	Inquiry
25g	>95%	0 Out of Stock	Hong Kong	Inquiry

1496506-80-9 / methyl (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate

Standard CAS: 1496506-80-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1496506-80-9

Multi CAS

Molecular Formula

C20H21NO5

Molecular Weight

355.400000

Exact Mass

355.141973

SMILES

C[C@@H]([C@@H](C(=O)OC)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

InChI

InChI=1S/C20H21NO5/c1-12(22)18(19(23)25-2)21-20(24)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18,22H,11H2,1-2H3,(H,21,24)/t12-,18-/m0/s1

InChIKey

AFQZVOKPCWBPHW-SGTLLEGYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.3

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

95.69

TPSA

84.86

LogP / Solubility

WLOGP

2.45

MLOGP

2.17

XLogP3

2.8

Consensus LogP

2.47

Log S (ESOL)

-3.6

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.24

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.6

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.15

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

Applications of CAS 1496506-80-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1496506-80-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. 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.