Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-
TL;DR: Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- (CAS 83649-26-7) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Phomenolactone, Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-, 2-Methoxy-17-oxoestra-1(10),2,4-trien-3-yl acetate, [(8R,9S,13S,14S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 83649-26-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CCC4=O)C)OC |
| InChIKey | BINPKPWUEVDCHG-KJOVKWNASA-N |
Product Overview
Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- (CAS 83649-26-7), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: [(8R,9S,13S,14S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-
Property Insights of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-
The XLogP value of 3.2 indicates that Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- 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 Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-?
The CAS number of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- is 83649-26-7.
What is the molecular formula of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-?
The molecular formula of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- is C21H26O4.
What is the molecular weight of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-?
The molecular weight of Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- is 342.18 g/mol.
Where can I buy Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-?
You can request a quote for Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.