3-碘胆酸
TL;DR: 3-碘胆酸 (CAS 91193-94-1) is a chemical compound with molecular formula C24H39IO4 and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-碘胆酸
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-iodo-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: 3-Iodocholic acid, 7,12-dihydroxy-3-iodocholan-24-oic acid, (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-iodo-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, 7alpha,12alpha-Dihydroxy-3alpha-iodo-5beta-cholan-24-oic acid, Cholan-24-oic acid, 7,12-dihydroxy-3-iodo-, (3alpha,5beta,7alpha,12alpha)-
| Molecular Formula | C24H39IO4 |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.18933 |
| Heavy Atoms | 29 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 91193-94-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)I)C)O)O)C |
| InChIKey | VGOVATCGEOKORT-OELDTZBJSA-N |
Product Overview
3-碘胆酸 (CAS 91193-94-1), with molecular formula C24H39IO4 and molecular weight 518.19 g/mol. IUPAC: (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-iodo-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.
Chemical Property Profile of 3-碘胆酸
Property Insights of 3-碘胆酸
The XLogP value of 5.8 indicates that 3-碘胆酸 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 3-碘胆酸. Following Lipinski's Rule of Five, 3-碘胆酸 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 3-碘胆酸?
The CAS number of 3-碘胆酸 is 91193-94-1.
What is the molecular formula of 3-碘胆酸?
The molecular formula of 3-碘胆酸 is C24H39IO4.
What is the molecular weight of 3-碘胆酸?
The molecular weight of 3-碘胆酸 is 518.19 g/mol.
Where can I buy 3-碘胆酸?
You can request a quote for 3-碘胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-碘胆酸?
Yes, KEHONG BIO provides custom synthesis services for 3-碘胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.