![N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- structure](/static/products/313/31349-13-0.png)
N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-
TL;DR: N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- (CAS 31349-13-0) is a chemical compound with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide
Also Known As: N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-, N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide
| Molecular Formula | C19H15ClN4O2S |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 3.44059 |
| Topological Polar Surface Area | 90.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06042 |
| Heavy Atoms | 27 |
| Complexity | 1089.1876 |
Chemical Identifiers
| CAS Number | 31349-13-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=O)NC(=S)N2)CC3=CC=C(C=C3)Cl |
Product Overview
N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- (CAS 31349-13-0), with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol. IUPAC: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide.
Chemical Property Profile of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-
Property Insights of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-
The XLogP value of 3.44059 indicates that N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-. Following Lipinski's Rule of Five, N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- 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 N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-?
The CAS number of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- is 31349-13-0.
What is the molecular formula of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-?
The molecular formula of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- is C19H15ClN4O2S.
What is the molecular weight of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-?
The molecular weight of N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- is 398.06 g/mol.
Where can I buy N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-?
You can request a quote for N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.