16,17-Dihydroxy-16-methylestr-4-en-3-one
TL;DR: 16,17-Dihydroxy-16-methylestr-4-en-3-one (CAS 21879-83-4) is a chemical compound with molecular formula C19H28O3 and molecular weight 304.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 16,17-dihydroxy-16-methylestr-4-en-3-one, 16-alpha-Methyl-16-beta-hydroxy-19-nortestosterone, 16-beta,17-beta-Dihydroxy-16-methylestr-4-en-3-one, ESTR-4-EN-3-ONE, 16-beta,17-beta-DIHYDROXY-16-METHYL-, 16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C19H28O3 |
|---|---|
| Molecular Weight | 304.20 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.20386 |
| Heavy Atoms | 22 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 21879-83-4 |
|---|---|
| SMILES | CC12CCC3C(C1CC(C2O)(C)O)CCC4=CC(=O)CCC34 |
| InChIKey | BKSZWISEIVLVFV-UHFFFAOYSA-N |
Product Overview
16,17-Dihydroxy-16-methylestr-4-en-3-one (CAS 21879-83-4), with molecular formula C19H28O3 and molecular weight 304.20 g/mol. IUPAC: 16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 16,17-Dihydroxy-16-methylestr-4-en-3-one
Property Insights of 16,17-Dihydroxy-16-methylestr-4-en-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16,17-Dihydroxy-16-methylestr-4-en-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 16,17-Dihydroxy-16-methylestr-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16,17-Dihydroxy-16-methylestr-4-en-3-one has 2 hydrogen bond donor(s) and 3 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 16,17-Dihydroxy-16-methylestr-4-en-3-one?
The CAS number of 16,17-Dihydroxy-16-methylestr-4-en-3-one is 21879-83-4.
What is the molecular formula of 16,17-Dihydroxy-16-methylestr-4-en-3-one?
The molecular formula of 16,17-Dihydroxy-16-methylestr-4-en-3-one is C19H28O3.
What is the molecular weight of 16,17-Dihydroxy-16-methylestr-4-en-3-one?
The molecular weight of 16,17-Dihydroxy-16-methylestr-4-en-3-one is 304.20 g/mol.
Where can I buy 16,17-Dihydroxy-16-methylestr-4-en-3-one?
You can request a quote for 16,17-Dihydroxy-16-methylestr-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,17-Dihydroxy-16-methylestr-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 16,17-Dihydroxy-16-methylestr-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.