TL;DR: 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid (CAS 139437-38-0) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: EX-A7209E, 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid, Chol-3-en-24-oic acid, 7,12-dihydroxy-, (5, A,7, A,12
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.277 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 Da |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
| 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(CCC=C4)C)O)O)C |
| InChIKey | AIBUGMOPZPLNNP-QLEQUTGBSA-N |
The XLogP value of 4.6 indicates that 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid 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 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid. Following Lipinski's Rule of Five, 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid is 139437-38-0.
The molecular formula of 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid is C24H38O4.
The molecular weight of 7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid is 390.277 g/mol.
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