3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate
TL;DR: 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate (CAS 43085-97-8) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: EINECS 256-082-5, 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate, [(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate, 17-Oxoestra-1,3,5(10),7-tetraen-3-yl acetate, 3-hydroxyestra-1,3,5 ,7-tetraen-17-one3-acetate
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 3.9572 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 730.4024 |
Chemical Identifiers
| CAS Number | 43085-97-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H](C3=CC2)CCC4=O)C |
Product Overview
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate (CAS 43085-97-8), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: [(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate
Property Insights of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate
The XLogP value of 3.9572 indicates that 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-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 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate?
The CAS number of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate is 43085-97-8.
What is the molecular formula of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate?
The molecular formula of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate is C20H22O3.
What is the molecular weight of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate?
The molecular weight of 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate is 310.16 g/mol.
Where can I buy 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate?
You can request a quote for 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.