IFLab1_001936
TL;DR: IFLab1_001936 (CAS 681167-05-5) is a chemical compound with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: IFLab1_001936, N-(2-(methylthio)benzo[d]thiazol-6-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide, F0537-0055, N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
| Molecular Formula | C17H14N2O3S2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 3.7967 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0446 |
| Heavy Atoms | 24 |
| Complexity | 909.742 |
Chemical Identifiers
| CAS Number | 681167-05-5 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3 |
Product Overview
IFLab1_001936 (CAS 681167-05-5), with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol. IUPAC: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of IFLab1_001936
Property Insights of IFLab1_001936
The XLogP value of 3.7967 indicates that IFLab1_001936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001936. Following Lipinski's Rule of Five, IFLab1_001936 has 1 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 IFLab1_001936?
The CAS number of IFLab1_001936 is 681167-05-5.
What is the molecular formula of IFLab1_001936?
The molecular formula of IFLab1_001936 is C17H14N2O3S2.
What is the molecular weight of IFLab1_001936?
The molecular weight of IFLab1_001936 is 358.04 g/mol.
Where can I buy IFLab1_001936?
You can request a quote for IFLab1_001936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001936?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.