TL;DR: 3,7-Dihydroxy-24-norcholane-23-sulfonate (CAS 145523-79-1) is a chemical compound with molecular formula C23H40O5S and molecular weight 428.25964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-[(3R,5S,7R,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]butane-1-sulfonic acid
Also Known As: Norcdc-sul, Norudc-SO3Na, 3,7-Dihydroxy-24-norcholane-23-sulfonate, 3alpha,7beta-Dihydroxy-24-nor-5beta-cholane-23-sulfonate, 3alpha,7alpha-Dihydroxy-24-nor-5beta-cholane-23-sulfonate
| Molecular Formula | C23H40O5S |
| Molecular Weight | 428.25964 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.25964 Da |
| Heavy Atoms | 29 |
| Complexity | 717.0 |
| SMILES | C[C@H](CCS(=O)(=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 | NTBYMHPNFQILPA-VEPRGJRUSA-N |
The XLogP value of 4.3 indicates that 3,7-Dihydroxy-24-norcholane-23-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydroxy-24-norcholane-23-sulfonate. Following Lipinski's Rule of Five, 3,7-Dihydroxy-24-norcholane-23-sulfonate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,7-Dihydroxy-24-norcholane-23-sulfonate is 145523-79-1.
The molecular formula of 3,7-Dihydroxy-24-norcholane-23-sulfonate is C23H40O5S.
The molecular weight of 3,7-Dihydroxy-24-norcholane-23-sulfonate is 428.25964 g/mol.
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