3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one
TL;DR: 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one (CAS 56630-87-6) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2R,5S,11R,12S,14R,15R,16S)-5,15-dihydroxy-2,14,16-trimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]ethanone
Also Known As: EINECS 260-293-8, 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one, 3beta,17-Dihydroxy-16alpha-methyl-5,6-epoxypregnan-20-one
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 3.0874 |
| Topological Polar Surface Area | 70.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 662.5277 |
Chemical Identifiers
| CAS Number | 56630-87-6 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC4C5(O4)C[C@H](CC[C@@]5([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O |
Product Overview
3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one (CAS 56630-87-6), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 1-[(1S,2R,5S,11R,12S,14R,15R,16S)-5,15-dihydroxy-2,14,16-trimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]ethanone.
Chemical Property Profile of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one
Property Insights of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one
The XLogP value of 3.0874 indicates that 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one. Following Lipinski's Rule of Five, 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one has 2 hydrogen bond donor(s) and 4 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 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one?
The CAS number of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one is 56630-87-6.
What is the molecular formula of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one?
The molecular formula of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one is C22H34O4.
What is the molecular weight of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one?
The molecular weight of 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one is 362.25 g/mol.
Where can I buy 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one?
You can request a quote for 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3,17-Dihydroxy-16-methyl-5,6-epoxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.