高熊去氧胆酸
TL;DR: 高熊去氧胆酸 (CAS 102044-28-0) is a chemical compound with molecular formula C25H42O4 and molecular weight 406.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
高熊去氧胆酸
(5R)-5-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-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]hexanoic acid
Also Known As: Homoursodeoxycholic acid, HUDCA, homo-ursodeoxycholic acid, J1.518.590B, 24-homo-3alpha,7beta-dihydroxy-5beta-cholan-25-oic acid
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 102044-28-0 |
|---|---|
| SMILES | C[C@H](CCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | ZKKGBMOMGYRROF-ZQMFMVRBSA-N |
Product Overview
高熊去氧胆酸 (CAS 102044-28-0), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: (5R)-5-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-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]hexanoic acid.
Chemical Property Profile of 高熊去氧胆酸
Property Insights of 高熊去氧胆酸
The XLogP value of 5.5 indicates that 高熊去氧胆酸 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 高熊去氧胆酸. Following Lipinski's Rule of Five, 高熊去氧胆酸 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 高熊去氧胆酸?
The CAS number of 高熊去氧胆酸 is 102044-28-0.
What is the molecular formula of 高熊去氧胆酸?
The molecular formula of 高熊去氧胆酸 is C25H42O4.
What is the molecular weight of 高熊去氧胆酸?
The molecular weight of 高熊去氧胆酸 is 406.31 g/mol.
Where can I buy 高熊去氧胆酸?
You can request a quote for 高熊去氧胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 高熊去氧胆酸?
Yes, KEHONG BIO provides custom synthesis services for 高熊去氧胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.