ChemDiv1_003724
TL;DR: ChemDiv1_003724 (CAS 215778-05-5) is a chemical compound with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_003724, F1443-4215, 3-chloro-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)benzo[b]thiophene-2-carboxamide, N2-(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)-3-chlorobenzo[b]thiophene-2-carboxamide, 3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C21H17ClN4O3S2 |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | 5.01464 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.04306 |
| Heavy Atoms | 31 |
| Complexity | 1379.9247 |
Chemical Identifiers
| CAS Number | 215778-05-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C |
Product Overview
ChemDiv1_003724 (CAS 215778-05-5), with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol. IUPAC: 3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_003724
Property Insights of ChemDiv1_003724
The XLogP value of 5.01464 indicates that ChemDiv1_003724 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_003724. Following Lipinski's Rule of Five, ChemDiv1_003724 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 ChemDiv1_003724?
The CAS number of ChemDiv1_003724 is 215778-05-5.
What is the molecular formula of ChemDiv1_003724?
The molecular formula of ChemDiv1_003724 is C21H17ClN4O3S2.
What is the molecular weight of ChemDiv1_003724?
The molecular weight of ChemDiv1_003724 is 472.04 g/mol.
Where can I buy ChemDiv1_003724?
You can request a quote for ChemDiv1_003724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003724?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.