![N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide structure](/static/products/4040/404015-34-5.webp)
N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide
TL;DR: N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide (CAS 404015-34-5) is a chemical compound with molecular formula C22H20ClN3O2S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
Also Known As: N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide, N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
| Molecular Formula | C22H20ClN3O2S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.4259 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.09647 |
| Heavy Atoms | 29 |
| Complexity | 1065.1743 |
Chemical Identifiers
| CAS Number | 404015-34-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)NC(=O)C4=CN=CC=C4 |
Product Overview
N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide (CAS 404015-34-5), with molecular formula C22H20ClN3O2S and molecular weight 425.10 g/mol. IUPAC: N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide
Property Insights of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide
The XLogP value of 5.4259 indicates that N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide?
The CAS number of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide is 404015-34-5.
What is the molecular formula of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide?
The molecular formula of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide is C22H20ClN3O2S.
What is the molecular weight of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide?
The molecular weight of N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide is 425.10 g/mol.
Where can I buy N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide?
You can request a quote for N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.