IFLab1_005311
TL;DR: IFLab1_005311 (CAS 864976-85-2) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide
Also Known As: IFLab1_005311, IDI1_010714, F1359-1058, (Z)-N-(3-(2-methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)benzamide, N-[(2Z)-6-methanesulfonyl-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.4938 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 1113.0487 |
Chemical Identifiers
| CAS Number | 864976-85-2 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3 |
Product Overview
IFLab1_005311 (CAS 864976-85-2), with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol. IUPAC: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide.
Chemical Property Profile of IFLab1_005311
Property Insights of IFLab1_005311
The XLogP value of 2.4938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005311. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005311. Following Lipinski's Rule of Five, IFLab1_005311 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_005311?
The CAS number of IFLab1_005311 is 864976-85-2.
What is the molecular formula of IFLab1_005311?
The molecular formula of IFLab1_005311 is C18H18N2O4S2.
What is the molecular weight of IFLab1_005311?
The molecular weight of IFLab1_005311 is 390.07 g/mol.
Where can I buy IFLab1_005311?
You can request a quote for IFLab1_005311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005311?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.