![methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate structure](/static/products/1005/1005564-87-3.webp)
methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate (CAS 1005564-87-3) is a chemical compound with molecular formula C14H9ClN4O5S and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate, methyl 3-chloro-6-(4-nitro-1H-pyrazole-3-carboxamido)benzo[b]thiophene-2-carboxylate, methyl 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate, Methyl 3-chloro-6-[(4-nitro2H-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylate
| Molecular Formula | C14H9ClN4O5S |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | 3.2249 |
| Topological Polar Surface Area | 127.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.99823 |
| Heavy Atoms | 25 |
| Complexity | 1011.9886 |
Chemical Identifiers
| CAS Number | 1005564-87-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Cl |
Product Overview
methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate (CAS 1005564-87-3), with molecular formula C14H9ClN4O5S and molecular weight 380.00 g/mol. IUPAC: methyl 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate
The XLogP value of 3.2249 indicates that methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate has 2 hydrogen bond donor(s) and 7 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-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate is 1005564-87-3.
What is the molecular formula of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate is C14H9ClN4O5S.
What is the molecular weight of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate is 380.00 g/mol.
Where can I buy methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-chloro-6-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.