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CAS 2646-38-0 Sodium Chenodeoxycholate molecular structure lightbox
CAS RN: 2646-38-0

Sodium Chenodeoxycholate

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1g In stock Inquiry
Batchno.20250517 250mg In stock Inquiry
Batchno.20260524 25g Out of stock Inquiry
Batchno.20250424 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 100g In stock Shanghai Inquiry
Batchno.20251121 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260128 25g In stock Shanghai Inquiry
Batchno.20250714 500g In stock Shanghai Inquiry
Batchno.20260404 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-124225
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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 2646-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2646-38-0 / sodium 4-(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)pentanoate

Standard CAS: 2646-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2646-38-0
Multi CAS
No
Molecular Formula
C24H39NaO4
Molecular Weight
414.600000
Exact Mass
414.274604
SMILES
CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
InChI
InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1
InChIKey
WDFRNBJHDMUMBL-UHFFFAOYSA-M

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
106.02
TPSA
80.59

LogP / Solubility

WLOGP
0.15
MLOGP
0.16
XLogP3
0.15
Consensus LogP
0.15
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14

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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