IFLab1_000933
TL;DR: IFLab1_000933 (CAS 313404-79-4) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
Also Known As: IFLab1_000933, F0214-0209, (E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)-4-(N,N-dimethylsulfamoyl)benzamide, N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 2.53962 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 1154.6046 |
Chemical Identifiers
| CAS Number | 313404-79-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)S2)C |
Product Overview
IFLab1_000933 (CAS 313404-79-4), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of IFLab1_000933
Property Insights of IFLab1_000933
The XLogP value of 2.53962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_000933. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000933. Following Lipinski's Rule of Five, IFLab1_000933 has 0 hydrogen bond donor(s) and 4 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 IFLab1_000933?
The CAS number of IFLab1_000933 is 313404-79-4.
What is the molecular formula of IFLab1_000933?
The molecular formula of IFLab1_000933 is C18H19N3O3S2.
What is the molecular weight of IFLab1_000933?
The molecular weight of IFLab1_000933 is 389.09 g/mol.
Where can I buy IFLab1_000933?
You can request a quote for IFLab1_000933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000933?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.