![Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate structure](/static/products/7123/712347-35-8.webp)
Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate
TL;DR: Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate (CAS 712347-35-8) is a chemical compound with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]benzoate
Also Known As: ChemDiv3_014946, CBKinase1_008322, CBKinase1_020722, AN-329/43211371, methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonyl}amino)benzoate
| Molecular Formula | C18H15BrN2O4 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 3.3674 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0215 |
| Heavy Atoms | 25 |
| Complexity | 850.4746 |
Chemical Identifiers
| CAS Number | 712347-35-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br |
Product Overview
Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate (CAS 712347-35-8), with molecular formula C18H15BrN2O4 and molecular weight 402.02 g/mol. IUPAC: methyl 2-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate
Property Insights of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate
The XLogP value of 3.3674 indicates that Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 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 Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate?
The CAS number of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate is 712347-35-8.
What is the molecular formula of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate?
The molecular formula of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate is C18H15BrN2O4.
What is the molecular weight of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate?
The molecular weight of Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate is 402.02 g/mol.
Where can I buy Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate?
You can request a quote for Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[3-(3-bromophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.