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CAS 1180-95-6 Taurodeoxycholate sodium salt molecular structure lightbox
CAS RN: 1180-95-6

Taurodeoxycholate sodium salt

Product Availability

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11 package records11 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100g In stock Shanghai Inquiry
Batchno.20250318 10g In stock Shanghai Inquiry
Batchno.20260427 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260211 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260105 500g In stock Shanghai Inquiry
Batchno.20250202 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 200mg / 1g / 5g / 10g / 50g / 250g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 1g In stock Shanghai, Guangdong Inquiry
Batchno.20250203 200mg In stock Shanghai, Shandong Inquiry
Batchno.20250603 5g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-017875
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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: 25g
  • Available purity: ≥97%
  • 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 1180-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

1180-95-6 / sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoyl]amino]ethanesulfonate

Taurodeoxycholic acid sodium salt | SODIUM TAURODEOXYCHOLATE | 5PE424S83L

Standard CAS: 1180-95-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1180-95-6
Multi CAS
Yes
Molecular Formula
C26H44NNaO6S
Molecular Weight
521.700000
Exact Mass
521.278704
SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
InChI
InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
InChIKey
YXHRQQJFKOHLAP-FVCKGWAHSA-M
Synonyms
Taurodeoxycholic acid sodium salt SODIUM TAURODEOXYCHOLATE 5PE424S83L Taurodeoxycholate, Sodium RefChem:184114

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.96
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
128.59
TPSA
126.76

LogP / Solubility

WLOGP
0.06
MLOGP
0.09
XLogP3
0.06
Consensus LogP
0.07
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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