16-Bromomethoxyestradiol
TL;DR: 16-Bromomethoxyestradiol (CAS 82123-98-6) is a chemical compound with molecular formula C19H25BrO3 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S,16R,17R)-16-bromo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16-Bromomethoxyestradiol, KST-1A8636, diphenyl(1-phenylpropan-2-yl)phosphoramidate, 16alpha-Bromo-11beta-methoxyestradiol-17beta, 16alpha-Bromo-11beta-methoxy-17beta-estradiol
| Molecular Formula | C19H25BrO3 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.09872 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 82123-98-6 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)Br)CCC4=C3C=CC(=C4)O)OC |
| InChIKey | FERUVNCWJYIAQM-RUOITVIXSA-N |
Product Overview
16-Bromomethoxyestradiol (CAS 82123-98-6), with molecular formula C19H25BrO3 and molecular weight 380.10 g/mol. IUPAC: (8S,9S,11S,13S,14S,16R,17R)-16-bromo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16-Bromomethoxyestradiol
Property Insights of 16-Bromomethoxyestradiol
The XLogP value of 3.3 indicates that 16-Bromomethoxyestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 16-Bromomethoxyestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Bromomethoxyestradiol 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 16-Bromomethoxyestradiol?
The CAS number of 16-Bromomethoxyestradiol is 82123-98-6.
What is the molecular formula of 16-Bromomethoxyestradiol?
The molecular formula of 16-Bromomethoxyestradiol is C19H25BrO3.
What is the molecular weight of 16-Bromomethoxyestradiol?
The molecular weight of 16-Bromomethoxyestradiol is 380.10 g/mol.
Where can I buy 16-Bromomethoxyestradiol?
You can request a quote for 16-Bromomethoxyestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Bromomethoxyestradiol?
Yes, KEHONG BIO provides custom synthesis services for 16-Bromomethoxyestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.