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CAS 459789-99-2 Obeticholic Acid molecular structure lightbox
CAS RN: 459789-99-2

Obeticholic Acid

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 100g Out of stock Inquiry
Batchno.20260325 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260610 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260410 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251006 25g In stock Shanghai Inquiry
Batchno.20250517 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-153558
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 459789-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

459789-99-2 / (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Standard CAS: 459789-99-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
459789-99-2
Multi CAS
Yes
Molecular Formula
C26H44O4
Molecular Weight
420.600000
Exact Mass
420.323960
InChI
InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N

Physical Properties

Melting Point
108-110
Boiling Point
562.9±25

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.96
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
117.81
TPSA
77.76

LogP / Solubility

WLOGP
5.11
MLOGP
4.53
XLogP3
5.7
Consensus LogP
5.11
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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