IFLab1_004867
TL;DR: IFLab1_004867 (CAS 683237-73-2) is a chemical compound with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
Also Known As: IFLab1_004867, IDI1_010622, F1105-0389, N-[(2E)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide, (E)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-1-naphthamide
| Molecular Formula | C20H16N2O3S2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 3.5376 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.06024 |
| Heavy Atoms | 27 |
| Complexity | 1374.1439 |
Chemical Identifiers
| CAS Number | 683237-73-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
IFLab1_004867 (CAS 683237-73-2), with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol. IUPAC: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide.
Chemical Property Profile of IFLab1_004867
Property Insights of IFLab1_004867
The XLogP value of 3.5376 indicates that IFLab1_004867 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_004867. Following Lipinski's Rule of Five, IFLab1_004867 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_004867?
The CAS number of IFLab1_004867 is 683237-73-2.
What is the molecular formula of IFLab1_004867?
The molecular formula of IFLab1_004867 is C20H16N2O3S2.
What is the molecular weight of IFLab1_004867?
The molecular weight of IFLab1_004867 is 396.06 g/mol.
Where can I buy IFLab1_004867?
You can request a quote for IFLab1_004867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004867?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.