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Tauroursodiol structure
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Tauroursodiol

TL;DR: Tauroursodiol (CAS 128-13-2) is a chemical compound with molecular formula C24H40O4 and molecular weight 392.29266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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)pentanoic acid

Also Known As: chenodeoxycholic acid, URSODEOXYCHOLIC ACID, ursodeoxycholate, ursodiol, Tauroursodiol

CAS Number
128-13-2
Molecular Formula
C24H40O4
Molecular Weight
392.29266 g/mol
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Technical Specifications

Molecular FormulaC24H40O4
Molecular Weight392.29266 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)77.8 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass392.29266 Da
Heavy Atoms28
Complexity605.0
SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChIKeyRUDATBOHQWOJDD-UHFFFAOYSA-N

Product Description

Applications: Tauroursodiol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Tauroursodiol (CAS 128-13-2) is a fine chemical with the molecular formula C24H40O4 and a molecular weight of 392.29 g/mol. Synonyms include chenodeoxycholic acid and URSODEOXYCHOLIC ACID.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Tauroursodiol

XLogP
4.9
TPSA (Topological Polar Surface Area)
77.8
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
28
Complexity
605.0
Exact Mass
392.29266
Monoisotopic Mass
392.29266
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Tauroursodiol

The XLogP value of 4.9 indicates that Tauroursodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tauroursodiol. Following Lipinski's Rule of Five, Tauroursodiol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Tauroursodiol?

The CAS number of Tauroursodiol is 128-13-2.

What is the molecular formula of Tauroursodiol?

The molecular formula of Tauroursodiol is C24H40O4.

What is the molecular weight of Tauroursodiol?

The molecular weight of Tauroursodiol is 392.29266 g/mol.

What are the applications of Tauroursodiol?

Tauroursodiol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy Tauroursodiol?

You can request a quote for Tauroursodiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Tauroursodiol?

Yes, CoreyChem provides custom synthesis services for Tauroursodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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