![[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate structure](/static/products/956/956266-90-3.png)
[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
TL;DR: [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 956266-90-3) is a chemical compound with molecular formula C21H21ClN4O3 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
Also Known As: [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate|EN300-26615216
| Molecular Formula | C21H21ClN4O3 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 4.0137 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.13022 |
| Heavy Atoms | 29 |
| Complexity | 1008.6555 |
Chemical Identifiers
| CAS Number | 956266-90-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 956266-90-3), with molecular formula C21H21ClN4O3 and molecular weight 412.13 g/mol. IUPAC: [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
Property Insights of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
The XLogP value of 4.0137 indicates that [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate 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 [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The CAS number of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 956266-90-3.
What is the molecular formula of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular formula of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is C21H21ClN4O3.
What is the molecular weight of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular weight of [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 412.13 g/mol.
Where can I buy [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
You can request a quote for [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.