16alpha-Bromo-17beta-estradiol
TL;DR: 16alpha-Bromo-17beta-estradiol (CAS 54982-79-5) is a chemical compound with molecular formula C18H23BrO2 and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R,17R)-16-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16alpha-Bromo-17beta-estradiol, 16 alpha-bromo-17 beta-estradiol, 16alpha-(77Br)-Bromoestradiol-17beta, 16 alpha-(77Br)-bromoestradiol-17 beta, SID:53787504
| Molecular Formula | C18H23BrO2 |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 350.08813 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 54982-79-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)Br)CCC4=C3C=CC(=C4)O |
| InChIKey | ICCJJRSEGGYXMX-ZXXIGWHRSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16alpha-Bromo-17beta-estradiol (CAS 54982-79-5), with molecular formula C18H23BrO2 and molecular weight 350.09 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-16-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16alpha-Bromo-17beta-estradiol
Property Insights of 16alpha-Bromo-17beta-estradiol
The XLogP value of 3.9 indicates that 16alpha-Bromo-17beta-estradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 16alpha-Bromo-17beta-estradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-Bromo-17beta-estradiol has 2 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 16alpha-Bromo-17beta-estradiol?
The CAS number of 16alpha-Bromo-17beta-estradiol is 54982-79-5.
What is the molecular formula of 16alpha-Bromo-17beta-estradiol?
The molecular formula of 16alpha-Bromo-17beta-estradiol is C18H23BrO2.
What is the molecular weight of 16alpha-Bromo-17beta-estradiol?
The molecular weight of 16alpha-Bromo-17beta-estradiol is 350.09 g/mol.
Where can I buy 16alpha-Bromo-17beta-estradiol?
You can request a quote for 16alpha-Bromo-17beta-estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16alpha-Bromo-17beta-estradiol?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Bromo-17beta-estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.