6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one
TL;DR: 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one (CAS 879465-93-7) is a chemical compound with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-[(2-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one, 6-amino-1-(2-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-amino-1-[(2-chlorophenyl)methyl]-2-sulfanylidene-pyrimidin-4-one, 6-amino-1-[(2-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C11H10ClN3OS |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 2.18979 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.02332 |
| Heavy Atoms | 17 |
| Complexity | 662.2515 |
Chemical Identifiers
| CAS Number | 879465-93-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=CC(=O)NC2=S)N)Cl |
Product Overview
6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one (CAS 879465-93-7), with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol. IUPAC: 6-amino-1-[(2-chlorophenyl)methyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one
Property Insights of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one
The XLogP value of 2.18979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one has 2 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 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The CAS number of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one is 879465-93-7.
What is the molecular formula of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The molecular formula of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one is C11H10ClN3OS.
What is the molecular weight of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The molecular weight of 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one is 267.02 g/mol.
Where can I buy 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one?
You can request a quote for 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.