6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
TL;DR: 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one (CAS 887202-10-0) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, 6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one, 6-amino-1-(3,4-dimethylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, F1967-0043, 6-amino-1-(3,4-dimethylphenyl)-2-thioxo-pyrimidin-4-one
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.09413 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 684.8806 |
Chemical Identifiers
| CAS Number | 887202-10-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=O)NC2=S)N)C |
Product Overview
6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one (CAS 887202-10-0), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 6-amino-1-(3,4-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
Property Insights of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
The XLogP value of 2.09413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one. Following Lipinski's Rule of Five, 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-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-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one?
The CAS number of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one is 887202-10-0.
What is the molecular formula of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one?
The molecular formula of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one is C12H13N3OS.
What is the molecular weight of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one?
The molecular weight of 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one is 247.08 g/mol.
Where can I buy 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one?
You can request a quote for 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-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-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.