IFLab1_004404
TL;DR: IFLab1_004404 (CAS 847362-46-3) is a chemical compound with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
Also Known As: IFLab1_004404, IDI1_010159, F0917-2041, 2-(((2-chlorobenzyl)thio)methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, 2-[(2-chlorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
| Molecular Formula | C17H15ClN2O3S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 3.7042 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0492 |
| Heavy Atoms | 24 |
| Complexity | 797.15515 |
Chemical Identifiers
| CAS Number | 847362-46-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O)Cl |
Product Overview
IFLab1_004404 (CAS 847362-46-3), with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid.
Chemical Property Profile of IFLab1_004404
Property Insights of IFLab1_004404
The XLogP value of 3.7042 indicates that IFLab1_004404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004404. Following Lipinski's Rule of Five, IFLab1_004404 has 3 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_004404?
The CAS number of IFLab1_004404 is 847362-46-3.
What is the molecular formula of IFLab1_004404?
The molecular formula of IFLab1_004404 is C17H15ClN2O3S.
What is the molecular weight of IFLab1_004404?
The molecular weight of IFLab1_004404 is 362.05 g/mol.
Where can I buy IFLab1_004404?
You can request a quote for IFLab1_004404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004404?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.