methyl 4-(2H-triazol-4-ylamino)benzoate
TL;DR: methyl 4-(2H-triazol-4-ylamino)benzoate (CAS 76109-78-9) is a chemical compound with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2H-triazol-4-ylamino)benzoate
Also Known As: methyl 4-(2H-triazol-4-ylamino)benzoate, Methyl 4-[(2H-1,2,3-triazol-4-yl)amino]benzoate, RefChem:355358
| Molecular Formula | C10H10N4O2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.08037 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 76109-78-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NNN=C2 |
| InChIKey | BSSSIWCHRKWLEC-UHFFFAOYSA-N |
Product Overview
methyl 4-(2H-triazol-4-ylamino)benzoate (CAS 76109-78-9), with molecular formula C10H10N4O2 and molecular weight 218.08 g/mol. IUPAC: methyl 4-(2H-triazol-4-ylamino)benzoate.
Chemical Property Profile of methyl 4-(2H-triazol-4-ylamino)benzoate
Property Insights of methyl 4-(2H-triazol-4-ylamino)benzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2H-triazol-4-ylamino)benzoate. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2H-triazol-4-ylamino)benzoate. Following Lipinski's Rule of Five, methyl 4-(2H-triazol-4-ylamino)benzoate has 2 hydrogen bond donor(s) and 5 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 methyl 4-(2H-triazol-4-ylamino)benzoate?
The CAS number of methyl 4-(2H-triazol-4-ylamino)benzoate is 76109-78-9.
What is the molecular formula of methyl 4-(2H-triazol-4-ylamino)benzoate?
The molecular formula of methyl 4-(2H-triazol-4-ylamino)benzoate is C10H10N4O2.
What is the molecular weight of methyl 4-(2H-triazol-4-ylamino)benzoate?
The molecular weight of methyl 4-(2H-triazol-4-ylamino)benzoate is 218.08 g/mol.
Where can I buy methyl 4-(2H-triazol-4-ylamino)benzoate?
You can request a quote for methyl 4-(2H-triazol-4-ylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2H-triazol-4-ylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2H-triazol-4-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.