4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-
TL;DR: 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- (CAS 89665-64-5) 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.
5-[(3-methylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(m-Tolylamino)methyl-2-thiouracil, 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-, 5-[(3-methylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one, 5-(((3-Methylphenyl)amino)methyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, 2-Thioxo-5-((m-tolylamino)methyl)-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.35301 |
| Topological Polar Surface Area | 60.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 629.8881 |
Chemical Identifiers
| CAS Number | 89665-64-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=CNC(=S)NC2=O |
Product Overview
4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- (CAS 89665-64-5), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 5-[(3-methylanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-
Property Insights of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-
The XLogP value of 2.35301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-. The TPSA of 60.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- has 3 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 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-?
The CAS number of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- is 89665-64-5.
What is the molecular formula of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-?
The molecular formula of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- is C12H13N3OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-?
The molecular weight of 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- is 247.08 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-?
You can request a quote for 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((3-methylphenyl)amino)methyl)-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.