5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide
TL;DR: 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide (CAS 58708-50-2) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-methyl-2-(oxiran-2-ylmethoxy)benzamide
Also Known As: 5-Bromo-3-methyl-2-(oxiranylmethoxy)benzamide, 5-17-03-00039 (Beilstein Handbook Reference), 5-bromo-3-methyl-2-(oxiran-2-ylmethoxy)benzamide, 5-bromo-3-methyl-2-oxiranylmethoxy-benzamide, BENZAMIDE, 5-BROMO-3-METHYL-2-(OXIRANYLMETHOXY)-
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 58708-50-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC2CO2)C(=O)N)Br |
| InChIKey | TWXDZXRKESXXCF-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide (CAS 58708-50-2), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: 5-bromo-3-methyl-2-(oxiran-2-ylmethoxy)benzamide.
Chemical Property Profile of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide
Property Insights of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide. Following Lipinski's Rule of Five, 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide has 1 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 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide?
The CAS number of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide is 58708-50-2.
What is the molecular formula of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide?
The molecular formula of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide is C11H12BrNO3.
What is the molecular weight of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide?
The molecular weight of 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide is 285.00 g/mol.
Where can I buy 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide?
You can request a quote for 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-methyl-2-(2-oxiranylmethoxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.