17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one
TL;DR: 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one (CAS 80651-69-0) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,10S,11S,14S,15S,17S)-14-hydroxy-2,4,14,15-tetramethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
Also Known As: 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one, 17beta-Hydroxy-2alpha,17alpha-dimethyl-9beta,11beta-9,11-epoxyandrost-4-en-3-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 80651-69-0 |
|---|---|
| SMILES | C[C@@H]1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@]5(C)O)C)C |
| InChIKey | BAEFASBRYLYOEE-CTMLEBESSA-N |
Product Overview
17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one (CAS 80651-69-0), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (1S,2S,4R,10S,11S,14S,15S,17S)-14-hydroxy-2,4,14,15-tetramethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one.
Chemical Property Profile of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one
Property Insights of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one. With a topological polar surface area (TPSA) of 49.8 Ų, 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one has 1 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 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one?
The CAS number of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one is 80651-69-0.
What is the molecular formula of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one?
The molecular formula of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one is C21H30O3.
What is the molecular weight of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one?
The molecular weight of 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one is 330.22 g/mol.
Where can I buy 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one?
You can request a quote for 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-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 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-2,17-dimethyl-9,11-epoxyandrost-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.