16-Bromoestrone
TL;DR: 16-Bromoestrone (CAS 92704-84-2) 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.
(8R,9S,13S,14S,16R)-16-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 16-Bromoestrone, 16alpha-Bromoestrone, A-bromoestrone, J2.681.026D, 16-Bromo-3-hydroxyestra-1(10),2,4-trien-17-one
| Molecular Formula | C18H21BrO2 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.0 |
| 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 | 450.0 |
Chemical Identifiers
| CAS Number | 92704-84-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)Br)CCC4=C3C=CC(=C4)O |
| InChIKey | ONEZAEJNFATWNE-QFXBJFAPSA-N |
Product Overview
16-Bromoestrone (CAS 92704-84-2), with molecular formula C18H21BrO2 and molecular weight 348.07 g/mol. IUPAC: (8R,9S,13S,14S,16R)-16-bromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 16-Bromoestrone
Property Insights of 16-Bromoestrone
The XLogP value of 4.0 indicates that 16-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, 16-Bromoestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-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 16-Bromoestrone?
The CAS number of 16-Bromoestrone is 92704-84-2.
What is the molecular formula of 16-Bromoestrone?
The molecular formula of 16-Bromoestrone is C18H21BrO2.
What is the molecular weight of 16-Bromoestrone?
The molecular weight of 16-Bromoestrone is 348.07 g/mol.
Where can I buy 16-Bromoestrone?
You can request a quote for 16-Bromoestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Bromoestrone?
Yes, KEHONG BIO provides custom synthesis services for 16-Bromoestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.