6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile
TL;DR: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile (CAS 338418-82-9) is a chemical compound with molecular formula C14H10ClN7O and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile
Also Known As: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile, 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile, 6-amino-1-(4-chlorophenyl)-2-oxo-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,2-dihydropyrimidine-5-carbonitrile, 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile, C14H10ClN7O
| Molecular Formula | C14H10ClN7O |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 0.97958 |
| Topological Polar Surface Area | 115.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06354 |
| Heavy Atoms | 23 |
| Complexity | 938.9925 |
Chemical Identifiers
| CAS Number | 338418-82-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl |
Product Overview
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile (CAS 338418-82-9), with molecular formula C14H10ClN7O and molecular weight 327.06 g/mol. IUPAC: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile
Property Insights of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile
The XLogP value of 0.97958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile. The TPSA of 115.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile?
The CAS number of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile is 338418-82-9.
What is the molecular formula of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile?
The molecular formula of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile is C14H10ClN7O.
What is the molecular weight of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile?
The molecular weight of 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile is 327.06 g/mol.
Where can I buy 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile?
You can request a quote for 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile 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-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1H-1,2,4-triazol-1-ylmethyl)-1,2-dihydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.