1-Bromoestradiol
TL;DR: 1-Bromoestradiol (CAS 97794-69-9) is a chemical compound with molecular formula C18H23BrO2 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S,17S)-1-(77Br)bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 1-Bromoestradiol, 1-(~77~Br)Bromoestra-1(10),2,4-triene-3,17-diol, 1-(~77~Br)bromoestra-1(10),2,4-triene-3,17beta-diol, (8S,9S,13S,14S,17S)-1-(77Br)bromanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, (8S,9S,13S,14S,17S)-1-bromanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C18H23BrO2 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.0912 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 97794-69-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=CC(=C4)O)[77Br] |
| InChIKey | RFIKGEXHGJJIHW-BWFAEJMXSA-N |
Product Overview
1-Bromoestradiol (CAS 97794-69-9), with molecular formula C18H23BrO2 and molecular weight 348.09 g/mol. IUPAC: (8S,9S,13S,14S,17S)-1-(77Br)bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 1-Bromoestradiol
Property Insights of 1-Bromoestradiol
The XLogP value of 4.7 indicates that 1-Bromoestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Bromoestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromoestradiol 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 1-Bromoestradiol?
The CAS number of 1-Bromoestradiol is 97794-69-9.
What is the molecular formula of 1-Bromoestradiol?
The molecular formula of 1-Bromoestradiol is C18H23BrO2.
What is the molecular weight of 1-Bromoestradiol?
The molecular weight of 1-Bromoestradiol is 348.09 g/mol.
Where can I buy 1-Bromoestradiol?
You can request a quote for 1-Bromoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.