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CAS 2868-48-6 Methyl Hyodeoxycholate molecular structure lightbox
CAS RN: 2868-48-6

Methyl Hyodeoxycholate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260611 1g In stock Inquiry
Batchno.20250805 250mg In stock Inquiry
Batchno.20251218 25g In stock Inquiry
Batchno.20260528 5g In stock Inquiry
  • Product code: SSC-130245
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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 2868-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

2868-48-6 / methyl 4-(3,6-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)pentanoate

Standard CAS: 2868-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2868-48-6
Multi CAS
No
Molecular Formula
C25H42O4
Molecular Weight
406.600000
Exact Mass
406.308310
SMILES
CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
InChI
InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3
InChIKey
BWDRDVHYVJQWBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.03
TPSA
66.76

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
5.2
Consensus LogP
4.6
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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