17beta-Acetoxyestra-4,9,11-trien-3-one
TL;DR: 17beta-Acetoxyestra-4,9,11-trien-3-one (CAS 49707-37-1) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,13S,14S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Trenbolone acetate, Trienbolone acetate, 17beta-Acetoxyestra-4,9,11-trien-3-one, 3-oxoestra-4,9,11-trien-17-ylacetate, Estra-4,9,11-trien-3-one, 17-(acetyloxy)-
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 49707-37-1 |
|---|---|
| SMILES | CC(=O)OC1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C |
| InChIKey | CMRJPMODSSEAPL-FBUBALKHSA-N |
Product Overview
17beta-Acetoxyestra-4,9,11-trien-3-one (CAS 49707-37-1), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: [(8S,13S,14S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17beta-Acetoxyestra-4,9,11-trien-3-one
Property Insights of 17beta-Acetoxyestra-4,9,11-trien-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17beta-Acetoxyestra-4,9,11-trien-3-one. With a topological polar surface area (TPSA) of 43.4 Ų, 17beta-Acetoxyestra-4,9,11-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Acetoxyestra-4,9,11-trien-3-one has 0 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 17beta-Acetoxyestra-4,9,11-trien-3-one?
The CAS number of 17beta-Acetoxyestra-4,9,11-trien-3-one is 49707-37-1.
What is the molecular formula of 17beta-Acetoxyestra-4,9,11-trien-3-one?
The molecular formula of 17beta-Acetoxyestra-4,9,11-trien-3-one is C20H24O3.
What is the molecular weight of 17beta-Acetoxyestra-4,9,11-trien-3-one?
The molecular weight of 17beta-Acetoxyestra-4,9,11-trien-3-one is 312.17 g/mol.
Where can I buy 17beta-Acetoxyestra-4,9,11-trien-3-one?
You can request a quote for 17beta-Acetoxyestra-4,9,11-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Acetoxyestra-4,9,11-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Acetoxyestra-4,9,11-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.