![methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate structure](/static/products/5148/514840-46-1.webp)
methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate
TL;DR: methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate (CAS 514840-46-1) is a chemical compound with molecular formula C12H12ClN3O3S and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate, methyl 3-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate, methyl 3-(4-chloro-1-ethyl-1H-pyrazole-3-carboxamido)thiophene-2-carboxylate, Methyl 3-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate, methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}thiophene-2-carboxylate
| Molecular Formula | C12H12ClN3O3S |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.6568 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.02878 |
| Heavy Atoms | 20 |
| Complexity | 650.1683 |
Chemical Identifiers
| CAS Number | 514840-46-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=C(SC=C2)C(=O)OC)Cl |
Product Overview
methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate (CAS 514840-46-1), with molecular formula C12H12ClN3O3S and molecular weight 313.03 g/mol. IUPAC: methyl 3-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate
Property Insights of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate
The XLogP value of 2.6568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate 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 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate?
The CAS number of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate is 514840-46-1.
What is the molecular formula of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate?
The molecular formula of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate is C12H12ClN3O3S.
What is the molecular weight of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate?
The molecular weight of methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate is 313.03 g/mol.
Where can I buy methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate?
You can request a quote for methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.