2-bromoestra-1,3,5(10)-triene-3,17-diol
TL;DR: 2-bromoestra-1,3,5(10)-triene-3,17-diol (CAS 158798-75-5) 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.
2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 2-bromoestra-1,3,5(10)-triene-3,17-diol, 2-Bromoestra-1(10),2,4-triene-3,17-diol, 2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, estra-1,3,5(10)-triene-3,17-diol, 2-bromo-, A4017/0171333
| Molecular Formula | C18H23BrO2 |
|---|---|
| Molecular Weight | 350.09 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 | 350.08813 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 158798-75-5 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)Br)O |
| InChIKey | SORISAYAZBCIQH-UHFFFAOYSA-N |
Product Overview
2-bromoestra-1,3,5(10)-triene-3,17-diol (CAS 158798-75-5), with molecular formula C18H23BrO2 and molecular weight 350.09 g/mol. IUPAC: 2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 2-bromoestra-1,3,5(10)-triene-3,17-diol
Property Insights of 2-bromoestra-1,3,5(10)-triene-3,17-diol
The XLogP value of 4.7 indicates that 2-bromoestra-1,3,5(10)-triene-3,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-bromoestra-1,3,5(10)-triene-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromoestra-1,3,5(10)-triene-3,17-diol 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 2-bromoestra-1,3,5(10)-triene-3,17-diol?
The CAS number of 2-bromoestra-1,3,5(10)-triene-3,17-diol is 158798-75-5.
What is the molecular formula of 2-bromoestra-1,3,5(10)-triene-3,17-diol?
The molecular formula of 2-bromoestra-1,3,5(10)-triene-3,17-diol is C18H23BrO2.
What is the molecular weight of 2-bromoestra-1,3,5(10)-triene-3,17-diol?
The molecular weight of 2-bromoestra-1,3,5(10)-triene-3,17-diol is 350.09 g/mol.
Where can I buy 2-bromoestra-1,3,5(10)-triene-3,17-diol?
You can request a quote for 2-bromoestra-1,3,5(10)-triene-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromoestra-1,3,5(10)-triene-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-bromoestra-1,3,5(10)-triene-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.