IFLab1_004605
TL;DR: IFLab1_004605 (CAS 683237-88-9) is a chemical compound with molecular formula C14H11ClN2O3S3 and molecular weight 385.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
Also Known As: IFLab1_004605, IFLab2_000080, IDI1_010360, IDI1_019106, F1105-0404
| Molecular Formula | C14H11ClN2O3S3 |
|---|---|
| Molecular Weight | 385.96 g/mol |
| LogP | 3.0993 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.96204 |
| Heavy Atoms | 23 |
| Complexity | 1090.1133 |
Chemical Identifiers
| CAS Number | 683237-88-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(S3)Cl |
Product Overview
IFLab1_004605 (CAS 683237-88-9), with molecular formula C14H11ClN2O3S3 and molecular weight 385.96 g/mol. IUPAC: 5-chloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
Chemical Property Profile of IFLab1_004605
Property Insights of IFLab1_004605
The XLogP value of 3.0993 indicates that IFLab1_004605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004605. Following Lipinski's Rule of Five, IFLab1_004605 has 0 hydrogen bond donor(s) and 5 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_004605?
The CAS number of IFLab1_004605 is 683237-88-9.
What is the molecular formula of IFLab1_004605?
The molecular formula of IFLab1_004605 is C14H11ClN2O3S3.
What is the molecular weight of IFLab1_004605?
The molecular weight of IFLab1_004605 is 385.96 g/mol.
Where can I buy IFLab1_004605?
You can request a quote for IFLab1_004605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004605?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.