4-Hydroxyestrone
TL;DR: 4-Hydroxyestrone (CAS 81586-98-3) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-Hydroxyestrone, 4-Hydroxy Estrone-d4, 1,3,5[10]-Estratriene-3,4-diol-17-one, 3,4-Dihydroxy-1,3,5[10]-estratrien-17-one, 3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 3.523 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 621.1346 |
Chemical Identifiers
| CAS Number | 81586-98-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O |
Product Overview
4-Hydroxyestrone (CAS 81586-98-3), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: 3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 4-Hydroxyestrone
Property Insights of 4-Hydroxyestrone
The XLogP value of 3.523 indicates that 4-Hydroxyestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 4-Hydroxyestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyestrone has 2 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 4-Hydroxyestrone?
The CAS number of 4-Hydroxyestrone is 81586-98-3.
What is the molecular formula of 4-Hydroxyestrone?
The molecular formula of 4-Hydroxyestrone is C18H22O3.
What is the molecular weight of 4-Hydroxyestrone?
The molecular weight of 4-Hydroxyestrone is 286.16 g/mol.
Where can I buy 4-Hydroxyestrone?
You can request a quote for 4-Hydroxyestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyestrone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.