![3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide structure](/static/products/5887/588712-41-8.webp)
3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide (CAS 588712-41-8) is a chemical compound with molecular formula C16H15ClN4O3S and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro- (9CI), 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide, 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-benzothiophene-2-carboxamide, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-meth ylcarboxamide
| Molecular Formula | C16H15ClN4O3S |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 3.9515 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.05533 |
| Heavy Atoms | 25 |
| Complexity | 965.5998 |
Chemical Identifiers
| CAS Number | 588712-41-8 |
|---|---|
| SMILES | CCN1C=C(C=N1)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide (CAS 588712-41-8), with molecular formula C16H15ClN4O3S and molecular weight 378.06 g/mol. IUPAC: 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 3.9515 indicates that 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide has 0 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-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide is 588712-41-8.
What is the molecular formula of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide is C16H15ClN4O3S.
What is the molecular weight of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide is 378.06 g/mol.
Where can I buy 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.