3-Oxo-5,10-epoxyestran-17-yl acetate
TL;DR: 3-Oxo-5,10-epoxyestran-17-yl acetate (CAS 124831-98-7) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5S,6S,9S,10S)-5-methyl-15-oxo-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadecan-6-yl] acetate
Also Known As: Keto-epoxy-Me-androstane acetate, 3-Oxo-5,10-epoxyestran-17-yl acetate, 17beta-(Acetyloxy)-5alpha,10-epoxyestran-3-one, (10xi)-3-Oxo-5,10-epoxyestran-17beta-yl acetate, 17-(Acetyloxy)-5,10-epoxyestran-3-one (5alpha,17beta)-
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 124831-98-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC45C3(O4)CCC(=O)C5)C |
| InChIKey | KEMFSPTYPOTLGN-QAFAMXTMSA-N |
Product Overview
3-Oxo-5,10-epoxyestran-17-yl acetate (CAS 124831-98-7), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: [(2S,5S,6S,9S,10S)-5-methyl-15-oxo-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadecan-6-yl] acetate.
Chemical Property Profile of 3-Oxo-5,10-epoxyestran-17-yl acetate
Property Insights of 3-Oxo-5,10-epoxyestran-17-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-5,10-epoxyestran-17-yl acetate. With a topological polar surface area (TPSA) of 55.9 Ų, 3-Oxo-5,10-epoxyestran-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-5,10-epoxyestran-17-yl acetate has 0 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-Oxo-5,10-epoxyestran-17-yl acetate?
The CAS number of 3-Oxo-5,10-epoxyestran-17-yl acetate is 124831-98-7.
What is the molecular formula of 3-Oxo-5,10-epoxyestran-17-yl acetate?
The molecular formula of 3-Oxo-5,10-epoxyestran-17-yl acetate is C20H28O4.
What is the molecular weight of 3-Oxo-5,10-epoxyestran-17-yl acetate?
The molecular weight of 3-Oxo-5,10-epoxyestran-17-yl acetate is 332.20 g/mol.
Where can I buy 3-Oxo-5,10-epoxyestran-17-yl acetate?
You can request a quote for 3-Oxo-5,10-epoxyestran-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-5,10-epoxyestran-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-5,10-epoxyestran-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.