A4007/0170844
TL;DR: A4007/0170844 (CAS 956786-13-3) is a chemical compound with molecular formula C13H12BrN3O3 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
Also Known As: A4007/0170844, methyl 5-[(4-bromophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate, methyl 3-((4-bromophenyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylate, methyl 3-[(4-chlorophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate, 1H-Pyrazole-5-carboxylic acid, 3-[[(4-bromophenyl)amino]carbonyl]-1-methyl-, methyl ester
| Molecular Formula | C13H12BrN3O3 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 2.2215 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0062 |
| Heavy Atoms | 20 |
| Complexity | 649.38104 |
Chemical Identifiers
| CAS Number | 956786-13-3 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)NC2=CC=C(C=C2)Br)C(=O)OC |
Product Overview
A4007/0170844 (CAS 956786-13-3), with molecular formula C13H12BrN3O3 and molecular weight 337.01 g/mol. IUPAC: methyl 3-[(4-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of A4007/0170844
Property Insights of A4007/0170844
The XLogP value of 2.2215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4007/0170844. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A4007/0170844. Following Lipinski's Rule of Five, A4007/0170844 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 A4007/0170844?
The CAS number of A4007/0170844 is 956786-13-3.
What is the molecular formula of A4007/0170844?
The molecular formula of A4007/0170844 is C13H12BrN3O3.
What is the molecular weight of A4007/0170844?
The molecular weight of A4007/0170844 is 337.01 g/mol.
Where can I buy A4007/0170844?
You can request a quote for A4007/0170844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4007/0170844?
Yes, KEHONG BIO provides custom synthesis services for A4007/0170844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.