N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide
TL;DR: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide (CAS 522596-79-8) is a chemical compound with molecular formula C30H31N3O3S and molecular weight 513.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide
Also Known As: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide, 2-{[2-(4-ethoxyphenyl)-6-methyl(4-quinolyl)]carbonylamino}-6-ethyl-4,5,6,7-tet rahydrobenzo[b]thiophene-3-carboxamide, N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(4-ethoxyphenyl)-6-methyl-4-quinolinecarboxamide
| Molecular Formula | C30H31N3O3S |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 6.53652 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.2086 |
| Heavy Atoms | 37 |
| Complexity | 1490.4816 |
Chemical Identifiers
| CAS Number | 522596-79-8 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)OCC |
Product Overview
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide (CAS 522596-79-8), with molecular formula C30H31N3O3S and molecular weight 513.21 g/mol. IUPAC: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide
Property Insights of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide
The XLogP value of 6.53652 indicates that N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide has 2 hydrogen bond donor(s) and 5 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-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide?
The CAS number of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide is 522596-79-8.
What is the molecular formula of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide?
The molecular formula of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide is C30H31N3O3S.
What is the molecular weight of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide?
The molecular weight of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide is 513.21 g/mol.
Where can I buy N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide?
You can request a quote for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-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-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.