ChemDiv1_003768
TL;DR: ChemDiv1_003768 (CAS 353477-80-2) is a chemical compound with molecular formula C20H15ClN4O3S2 and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_003768, 3-chloro-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide, 3-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(4-{[(4-methylpyrimidin-2-yl)amino]sulfonyl} phenyl)carboxamide, 3-chloro-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H15ClN4O3S2 |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 4.70622 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.0274 |
| Heavy Atoms | 30 |
| Complexity | 1352.2517 |
Chemical Identifiers
| CAS Number | 353477-80-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
ChemDiv1_003768 (CAS 353477-80-2), with molecular formula C20H15ClN4O3S2 and molecular weight 458.03 g/mol. IUPAC: 3-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_003768
Property Insights of ChemDiv1_003768
The XLogP value of 4.70622 indicates that ChemDiv1_003768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003768. Following Lipinski's Rule of Five, ChemDiv1_003768 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_003768?
The CAS number of ChemDiv1_003768 is 353477-80-2.
What is the molecular formula of ChemDiv1_003768?
The molecular formula of ChemDiv1_003768 is C20H15ClN4O3S2.
What is the molecular weight of ChemDiv1_003768?
The molecular weight of ChemDiv1_003768 is 458.03 g/mol.
Where can I buy ChemDiv1_003768?
You can request a quote for ChemDiv1_003768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003768?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.