CAS 10538-59-7 7-ketolithocholic Methyl ester molecular structure

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CAS RN: 10538-59-7

7-ketolithocholic Methyl ester

Product code: SSC-007139

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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, 5g, 10g, 0.25g, 25g, 100g
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 10538-59-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	5 In Stock	Beijing	Inquiry
5g	≥95%	5 In Stock	Shanghai	Inquiry
10g	≥95%	3 In Stock	Shanghai	Inquiry
0.25g	≥95%	2 In Stock	Hong Kong	Inquiry
25g	≥95%	1 In Stock	Shanghai	Inquiry
100g	≥95%	0 Out of Stock	Shanghai	Inquiry

10538-59-7 / methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic acid methyl ester | RefChem:505548 | 963-025-4

Standard CAS: 10538-59-7 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10538-59-7

Multi CAS

Yes

Molecular Formula

C25H40O4

Molecular Weight

404.600000

Exact Mass

404.292660

SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

InChI

InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1

InChIKey

FNBYYFMYNRYPPC-YLOOLPOOSA-N

Synonyms

3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic acid methyl ester RefChem:505548 963-025-4 Nutriacholic Acid Methyl Ester (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.92

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

112.03

TPSA

63.6

LogP / Solubility

WLOGP

4.77

MLOGP

4.23

XLogP3

Consensus LogP

4.67

Log S (ESOL)

-5.09

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.32

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.73

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.8

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

7.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statement Codes

P264, P270, P301+P317, P330, and P501

Applications of CAS 10538-59-7

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 10538-59-7 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.