1-[(4-chlorophenyl)-methyl-oxo-
TL;DR: 1-[(4-chlorophenyl)-methyl-oxo- (CAS 650615-79-5) is a chemical compound with molecular formula C13H11Cl2N3O2S and molecular weight 342.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-3-(2-chloro-3-pyridinyl)urea
Also Known As: 1-[(4-chlorophenyl)-methyl-oxo-, 1-[(4-Chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-3-(2-chloropyridin-3-yl)urea, 1-[(4-chlorophenyl)(methyl)oxo-$l^{6}-sulfanylidene]-3-(2-chloropyridin-3-yl)urea
| Molecular Formula | C13H11Cl2N3O2S |
|---|---|
| Molecular Weight | 342.99 g/mol |
| LogP | 4.0772 |
| Topological Polar Surface Area | 71.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.9949 |
| Heavy Atoms | 21 |
| Complexity | 784.2583 |
Chemical Identifiers
| CAS Number | 650615-79-5 |
|---|---|
| SMILES | CS(=NC(=O)NC1=C(N=CC=C1)Cl)(=O)C2=CC=C(C=C2)Cl |
Product Overview
1-[(4-chlorophenyl)-methyl-oxo- (CAS 650615-79-5), with molecular formula C13H11Cl2N3O2S and molecular weight 342.99 g/mol. IUPAC: 1-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-3-(2-chloro-3-pyridinyl)urea.
Chemical Property Profile of 1-[(4-chlorophenyl)-methyl-oxo-
Property Insights of 1-[(4-chlorophenyl)-methyl-oxo-
The XLogP value of 4.0772 indicates that 1-[(4-chlorophenyl)-methyl-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chlorophenyl)-methyl-oxo-. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)-methyl-oxo- has 1 hydrogen bond donor(s) and 3 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 1-[(4-chlorophenyl)-methyl-oxo-?
The CAS number of 1-[(4-chlorophenyl)-methyl-oxo- is 650615-79-5.
What is the molecular formula of 1-[(4-chlorophenyl)-methyl-oxo-?
The molecular formula of 1-[(4-chlorophenyl)-methyl-oxo- is C13H11Cl2N3O2S.
What is the molecular weight of 1-[(4-chlorophenyl)-methyl-oxo-?
The molecular weight of 1-[(4-chlorophenyl)-methyl-oxo- is 342.99 g/mol.
Where can I buy 1-[(4-chlorophenyl)-methyl-oxo-?
You can request a quote for 1-[(4-chlorophenyl)-methyl-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)-methyl-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)-methyl-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.