6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one
TL;DR: 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one (CAS 879466-47-4) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-[(2-methoxyphenyl)methyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-amino-1-(2-methoxybenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one, 6-amino-1-[(2-methoxyphenyl)methyl]-2-sulfanylidenepyrimidin-4-one, 6-amino-1-[(2-methoxyphenyl)methyl]-2-sulfanylidene-pyrimidin-4-one
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.54499 |
| Topological Polar Surface Area | 73.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 675.5081 |
Chemical Identifiers
| CAS Number | 879466-47-4 |
|---|---|
| SMILES | COC1=CC=CC=C1CN2C(=CC(=O)NC2=S)N |
Product Overview
6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one (CAS 879466-47-4), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 6-amino-1-[(2-methoxyphenyl)methyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one
Property Insights of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one
The XLogP value of 1.54499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one. The TPSA of 73.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one has 2 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 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The CAS number of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one is 879466-47-4.
What is the molecular formula of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The molecular formula of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one is C12H13N3O2S.
What is the molecular weight of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one?
The molecular weight of 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one is 263.07 g/mol.
Where can I buy 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one?
You can request a quote for 6-amino-1-(2-methoxybenzyl)-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-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-(2-methoxybenzyl)-2-sulfanylpyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.