雌酮乙酸酯
TL;DR: 雌酮乙酸酯 (CAS 901-93-9) 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.
雌酮乙酸酯
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: estrone acetate, Estrone, acetate, Acetoxyestrone, 3-Acetoxyestrone, RUCAPARIB
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 3.2 |
| 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 | 513.0 |
Chemical Identifiers
| CAS Number | 901-93-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C |
| InChIKey | KDPQTPZDVJHMET-UHFFFAOYSA-N |
Product Overview
雌酮乙酸酯 (CAS 901-93-9), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 雌酮乙酸酯
Property Insights of 雌酮乙酸酯
The XLogP value of 3.2 indicates that 雌酮乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 雌酮乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 雌酮乙酸酯 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 雌酮乙酸酯?
The CAS number of 雌酮乙酸酯 is 901-93-9.
What is the molecular formula of 雌酮乙酸酯?
The molecular formula of 雌酮乙酸酯 is C20H24O3.
What is the molecular weight of 雌酮乙酸酯?
The molecular weight of 雌酮乙酸酯 is 312.17 g/mol.
Where can I buy 雌酮乙酸酯?
You can request a quote for 雌酮乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雌酮乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 雌酮乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.