ChemDiv3_003286
TL;DR: ChemDiv3_003286 (CAS 683237-71-0) is a chemical compound with molecular formula C18H19N3O5S3 and molecular weight 453.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylsulfamoyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: ChemDiv3_003286, IDI1_021196, F1105-0387, BRD-K35266202-001-01-5, (Z)-4-(N,N-dimethylsulfamoyl)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C18H19N3O5S3 |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 1.6347 |
| Topological Polar Surface Area | 105.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.04868 |
| Heavy Atoms | 29 |
| Complexity | 1380.7595 |
Chemical Identifiers
| CAS Number | 683237-71-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C |
Product Overview
ChemDiv3_003286 (CAS 683237-71-0), with molecular formula C18H19N3O5S3 and molecular weight 453.05 g/mol. IUPAC: 4-(dimethylsulfamoyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of ChemDiv3_003286
Property Insights of ChemDiv3_003286
The XLogP value of 1.6347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003286. The TPSA of 105.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003286. Following Lipinski's Rule of Five, ChemDiv3_003286 has 0 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 ChemDiv3_003286?
The CAS number of ChemDiv3_003286 is 683237-71-0.
What is the molecular formula of ChemDiv3_003286?
The molecular formula of ChemDiv3_003286 is C18H19N3O5S3.
What is the molecular weight of ChemDiv3_003286?
The molecular weight of ChemDiv3_003286 is 453.05 g/mol.
Where can I buy ChemDiv3_003286?
You can request a quote for ChemDiv3_003286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003286?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.