Equilenin acetate
TL;DR: Equilenin acetate (CAS 6030-91-7) is a chemical compound with molecular formula C20H20O3 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: Equilenin acetate, Estra-1,3,5,7,9-pentaen-17-one, 3-(acetyloxy)-, Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-, acetate, Estra-1,5,7,9-pentaen-17-one, 3-(acetyloxy)-, 17-Oxoestra-1,3,5(10),6,8-pentaen-3-yl acetate
| Molecular Formula | C20H20O3 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.14124 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 6030-91-7 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3=C(C=C2)C4CCC(=O)C4(CC3)C |
| InChIKey | BXYLRGRVWPHELN-UHFFFAOYSA-N |
Product Overview
Equilenin acetate (CAS 6030-91-7), with molecular formula C20H20O3 and molecular weight 308.14 g/mol. IUPAC: (13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of Equilenin acetate
Property Insights of Equilenin acetate
The XLogP value of 3.6 indicates that Equilenin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Equilenin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Equilenin acetate 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 Equilenin acetate?
The CAS number of Equilenin acetate is 6030-91-7.
What is the molecular formula of Equilenin acetate?
The molecular formula of Equilenin acetate is C20H20O3.
What is the molecular weight of Equilenin acetate?
The molecular weight of Equilenin acetate is 308.14 g/mol.
Where can I buy Equilenin acetate?
You can request a quote for Equilenin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Equilenin acetate?
Yes, KEHONG BIO provides custom synthesis services for Equilenin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.