Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate
TL;DR: Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate (CAS 167626-50-8) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-4-(1,2,4-triazol-1-yl)benzoate
Also Known As: Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate, methyl 3-amino-4-(1,2,4-triazol-1-yl)benzoate, methylaminotriazolylbenzenecarboxylate, Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-, methyl ester, Methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)-benzenecarboxylate
Technical Specifications
| Molecular Formula | C10H10N4O2 |
| Molecular Weight | 218.08037 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.08037 Da |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1)N2C=NC=N2)N |
| InChIKey | HUAQXKUFBUHCCA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate
Property Insights of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate?
The CAS number of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate is 167626-50-8.
What is the molecular formula of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate?
The molecular formula of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate is C10H10N4O2.
What is the molecular weight of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate?
The molecular weight of Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate is 218.08037 g/mol.
Where can I buy Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate?
You can request a quote for Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-Amino-4-(1H-1,2,4-triazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.