![2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide structure](/static/products/4381/438197-39-8.webp)
2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide (CAS 438197-39-8) is a chemical compound with molecular formula C32H24ClN3O4S and molecular weight 581.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
Also Known As: 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide, 2-(1,3-benzodioxol-5-yl)-N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-4-quinolinecarboxamide, {2-[(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(4-quinolyl))carbonylamino](4,5,6,7-t etrahydrobenzo[b]thiophen-3-yl)}-N-(4-chlorophenyl)carboxamide, 2-(1,3-benzodioxol-5-yl)-N-{3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}quinoline-4-carboxamide
| Molecular Formula | C32H24ClN3O4S |
|---|---|
| Molecular Weight | 581.12 g/mol |
| LogP | 7.7288 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 581.1176 |
| Heavy Atoms | 41 |
| Complexity | 1833.5736 |
Chemical Identifiers
| CAS Number | 438197-39-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)C(=O)NC7=CC=C(C=C7)Cl |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide (CAS 438197-39-8), with molecular formula C32H24ClN3O4S and molecular weight 581.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide
The XLogP value of 7.7288 indicates that 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide is 438197-39-8.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide is C32H24ClN3O4S.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide is 581.12 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]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 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.