酮羟基雌三烯
TL;DR: 酮羟基雌三烯 (CAS 53-16-7) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮羟基雌三烯
3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: estrone, folliculin, Unden, estrol, estrovarin
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 53-16-7 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
| InChIKey | DNXHEGUUPJUMQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮羟基雌三烯 (CAS 53-16-7), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 酮羟基雌三烯
Property Insights of 酮羟基雌三烯
The XLogP value of 3.1 indicates that 酮羟基雌三烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 酮羟基雌三烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 酮羟基雌三烯 has 1 hydrogen bond donor(s) and 2 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 酮羟基雌三烯?
The CAS number of 酮羟基雌三烯 is 53-16-7.
What is the molecular formula of 酮羟基雌三烯?
The molecular formula of 酮羟基雌三烯 is C18H22O2.
What is the molecular weight of 酮羟基雌三烯?
The molecular weight of 酮羟基雌三烯 is 270.16 g/mol.
Where can I buy 酮羟基雌三烯?
You can request a quote for 酮羟基雌三烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酮羟基雌三烯?
Yes, KEHONG BIO provides custom synthesis services for 酮羟基雌三烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.