![N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri structure](/static/products/313/31349-14-1.png)
N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
TL;DR: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri (CAS 31349-14-1) is a chemical compound with molecular formula C18H14ClN5O2S and molecular weight 399.06 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]pyridine-4-carboxamide
Also Known As: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri, 4-Pyridinecarboxylicacid,2-[[5-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydro-6-oxo-2-thioxo-4-pyrimidinyl]methylene]hydrazide, N'-({5-[(4-Chlorophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidin-4-yl}methylidene)pyridine-4-carbohydrazide, N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]pyridine-4-carboxamide
| Molecular Formula | C18H14ClN5O2S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 2.83559 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.05566 |
| Heavy Atoms | 27 |
| Complexity | 1091.23 |
Chemical Identifiers
| CAS Number | 31349-14-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=NNC(=O)C3=CC=NC=C3)Cl |
Product Overview
N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri (CAS 31349-14-1), with molecular formula C18H14ClN5O2S and molecular weight 399.06 g/mol. IUPAC: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]pyridine-4-carboxamide.
Chemical Property Profile of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
Property Insights of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
The XLogP value of 2.83559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri. Following Lipinski's Rule of Five, N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri has 3 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 N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The CAS number of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is 31349-14-1.
What is the molecular formula of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The molecular formula of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is C18H14ClN5O2S.
What is the molecular weight of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The molecular weight of N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is 399.06 g/mol.
Where can I buy N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
You can request a quote for N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.