8-Isoestrone
TL;DR: 8-Isoestrone (CAS 4680-83-5) 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.
(8S,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Isoestrone, 8alpha-Estrone, 8-Epiestrone, 8-Isoestrone, DL-8-Isoestrone
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 3.8174 |
| 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 | 576.781 |
Chemical Identifiers
| CAS Number | 4680-83-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O |
Product Overview
8-Isoestrone (CAS 4680-83-5), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (8S,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 8-Isoestrone
Property Insights of 8-Isoestrone
The XLogP value of 3.8174 indicates that 8-Isoestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 8-Isoestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Isoestrone 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 8-Isoestrone?
The CAS number of 8-Isoestrone is 4680-83-5.
What is the molecular formula of 8-Isoestrone?
The molecular formula of 8-Isoestrone is C18H22O2.
What is the molecular weight of 8-Isoestrone?
The molecular weight of 8-Isoestrone is 270.16 g/mol.
Where can I buy 8-Isoestrone?
You can request a quote for 8-Isoestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Isoestrone?
Yes, KEHONG BIO provides custom synthesis services for 8-Isoestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.