5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-
TL;DR: 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- (CAS 7626-14-4) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinane-5-carbothioamide
Also Known As: 5-(p-Tolylthiocarbamoyl)barbituric acid, 4'-Methyl-2,4,6-trioxo-5-pyrimidinecarbothioanilide, 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-, 2,4,6-Trioxo-1,2,3,4,5,6-hexahydrothio-5-pyrimidinecarboxy-p-toluidide, N-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinane-5-carbothioamide
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 0.71652 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 548.0873 |
Chemical Identifiers
| CAS Number | 7626-14-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C2C(=O)NC(=O)NC2=O |
Product Overview
5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- (CAS 7626-14-4), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: N-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinane-5-carbothioamide.
Chemical Property Profile of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-
Property Insights of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-
The XLogP value of 0.71652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- has 3 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 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-?
The CAS number of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- is 7626-14-4.
What is the molecular formula of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-?
The molecular formula of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- is C12H11N3O3S.
What is the molecular weight of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-?
The molecular weight of 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- is 277.05 g/mol.
Where can I buy 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-?
You can request a quote for 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarboxy-p-toluidide, 1,2,3,4,5,6-hexahydro-2,4,6-trioxothio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.