(25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol
TL;DR: (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol (CAS 196607-73-5) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
Also Known As: Porrigenin B, (-)-Porrigenin B, 3,6-Dihydroxyspirostan-2-one, (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol, (22xi,25R)-3beta,6beta-Dihydroxy-5alpha-spirostan-2-one
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 196607-73-5 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC(=O)[C@@H](C6)O)C)O)C)C)OC1 |
| InChIKey | BTSHHJQHTVNSLW-WRPNYKIDSA-N |
Product Overview
(25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol (CAS 196607-73-5), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: (1R,2S,4S,5'R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one.
Chemical Property Profile of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol
Property Insights of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol
The XLogP value of 4.2 indicates that (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol. Following Lipinski's Rule of Five, (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol?
The CAS number of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol is 196607-73-5.
What is the molecular formula of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol?
The molecular formula of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol is C27H42O5.
What is the molecular weight of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol?
The molecular weight of (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol is 446.30 g/mol.
Where can I buy (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol?
You can request a quote for (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol?
Yes, KEHONG BIO provides custom synthesis services for (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.