Brofezil
TL;DR: Brofezil (CAS 17969-45-8) is a chemical compound with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanoic acid
Also Known As: Brofezil, Brofezilo, Brofezilum, Brofezil [INN:BAN], BROFEZIL [INN]
| Molecular Formula | C12H10BrNO2S |
|---|---|
| Molecular Weight | 310.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.96155 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 17969-45-8 |
|---|---|
| SMILES | CC(C1=NC(=CS1)C2=CC=C(C=C2)Br)C(=O)O |
| InChIKey | JGQKYWPSFPCKLW-UHFFFAOYSA-N |
Product Overview
Brofezil (CAS 17969-45-8), with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol. IUPAC: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanoic acid.
Chemical Property Profile of Brofezil
Property Insights of Brofezil
The XLogP value of 3.4 indicates that Brofezil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Brofezil. Following Lipinski's Rule of Five, Brofezil has 1 hydrogen bond donor(s) and 4 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 Brofezil?
The CAS number of Brofezil is 17969-45-8.
What is the molecular formula of Brofezil?
The molecular formula of Brofezil is C12H10BrNO2S.
What is the molecular weight of Brofezil?
The molecular weight of Brofezil is 310.96 g/mol.
Where can I buy Brofezil?
You can request a quote for Brofezil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brofezil?
Yes, KEHONG BIO provides custom synthesis services for Brofezil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.