![methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate structure](/static/products/432/432017-35-1.png)
methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
TL;DR: methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 432017-35-1) is a chemical compound with molecular formula C13H12IN3O3 and molecular weight 384.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-iodo-1-methylpyrazole-5-carbonyl)amino]benzoate
Also Known As: BAS 03076887, AB00117908-01, methyl 2-(4-iodo-1-methyl-1H-pyrazole-5-carboxamido)benzoate, methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate, 2-[(4-Iodo-2-methyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid methyl ester
| Molecular Formula | C13H12IN3O3 |
|---|---|
| Molecular Weight | 384.99 g/mol |
| LogP | 2.0636 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.99234 |
| Heavy Atoms | 20 |
| Complexity | 647.13104 |
Chemical Identifiers
| CAS Number | 432017-35-1 |
|---|---|
| SMILES | CN1C(=C(C=N1)I)C(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate (CAS 432017-35-1), with molecular formula C13H12IN3O3 and molecular weight 384.99 g/mol. IUPAC: methyl 2-[(4-iodo-1-methylpyrazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
Property Insights of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 2.0636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate 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 methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The CAS number of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 432017-35-1.
What is the molecular formula of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is C13H12IN3O3.
What is the molecular weight of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate is 384.99 g/mol.
Where can I buy methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)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-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.