ChemDiv1_003389
TL;DR: ChemDiv1_003389 (CAS 5698-31-7) is a chemical compound with molecular formula C23H19ClN2O3S2 and molecular weight 470.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_003389, OXONANE-2,4,8-TRIONE, 4-amino-2,3-dichlorobenzene sulfonic acid, BIM-0028525.P001, 3-Chloro-6-methyl-N-[4-(4-methylbenzene-1-sulfonamido)phenyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H19ClN2O3S2 |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 6.22464 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.05255 |
| Heavy Atoms | 31 |
| Complexity | 1377.1215 |
Chemical Identifiers
| CAS Number | 5698-31-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl |
Product Overview
ChemDiv1_003389 (CAS 5698-31-7), with molecular formula C23H19ClN2O3S2 and molecular weight 470.05 g/mol. IUPAC: 3-chloro-6-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_003389
Property Insights of ChemDiv1_003389
The XLogP value of 6.22464 indicates that ChemDiv1_003389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003389. Following Lipinski's Rule of Five, ChemDiv1_003389 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003389?
The CAS number of ChemDiv1_003389 is 5698-31-7.
What is the molecular formula of ChemDiv1_003389?
The molecular formula of ChemDiv1_003389 is C23H19ClN2O3S2.
What is the molecular weight of ChemDiv1_003389?
The molecular weight of ChemDiv1_003389 is 470.05 g/mol.
Where can I buy ChemDiv1_003389?
You can request a quote for ChemDiv1_003389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003389?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.