4-bromoestrone
TL;DR: 4-bromoestrone (CAS 1630-82-6) is a chemical compound with molecular formula C18H21BrO2 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-bromoestrone, 4-bromo-3-hydroxyestra-1,3,5(10)-trien-17-one, 4-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H21BrO2 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.5799 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.07248 |
| Heavy Atoms | 21 |
| Complexity | 623.88947 |
Chemical Identifiers
| CAS Number | 1630-82-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4Br)O |
Product Overview
4-bromoestrone (CAS 1630-82-6), with molecular formula C18H21BrO2 and molecular weight 348.07 g/mol. IUPAC: 4-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 4-bromoestrone
Property Insights of 4-bromoestrone
The XLogP value of 4.5799 indicates that 4-bromoestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-bromoestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromoestrone 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 4-bromoestrone?
The CAS number of 4-bromoestrone is 1630-82-6.
What is the molecular formula of 4-bromoestrone?
The molecular formula of 4-bromoestrone is C18H21BrO2.
What is the molecular weight of 4-bromoestrone?
The molecular weight of 4-bromoestrone is 348.07 g/mol.
Where can I buy 4-bromoestrone?
You can request a quote for 4-bromoestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromoestrone?
Yes, KEHONG BIO provides custom synthesis services for 4-bromoestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.