6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
TL;DR: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide (CAS 687590-26-7) is a chemical compound with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
Also Known As: F0921-5704, 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1,2-dihydroquinoline-4-carboxamide, 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide, 6-(azepane-1-sulfonyl)-2-oxo-N-[(thiophen-2-yl)methyl]-1,2-dihydroquinoline-4-carboxamide
| Molecular Formula | C21H23N3O4S2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 3.0843 |
| Topological Polar Surface Area | 99.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.113 |
| Heavy Atoms | 30 |
| Complexity | 1208.7773 |
Chemical Identifiers
| CAS Number | 687590-26-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CS4 |
Product Overview
6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide (CAS 687590-26-7), with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol. IUPAC: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide.
Chemical Property Profile of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
Property Insights of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
The XLogP value of 3.0843 indicates that 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide. Following Lipinski's Rule of Five, 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide has 2 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 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The CAS number of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is 687590-26-7.
What is the molecular formula of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The molecular formula of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is C21H23N3O4S2.
What is the molecular weight of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
The molecular weight of 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide is 445.11 g/mol.
Where can I buy 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
You can request a quote for 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.