methyl 1H-1,2,3-benzotriazole-5-carboxylate
TL;DR: methyl 1H-1,2,3-benzotriazole-5-carboxylate (CAS 113053-50-2) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2H-benzotriazole-5-carboxylate
Also Known As: Methyl 1H-1,2,3-benzotriazole-5-carboxylate, methyl 2H-benzotriazole-5-carboxylate, Methyl 1H-benzo[d][1,2,3]triazole-6-carboxylate, Maybridge1_005995, METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.7445 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 449.3408 |
Chemical Identifiers
| CAS Number | 113053-50-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=NNN=C2C=C1 |
Product Overview
methyl 1H-1,2,3-benzotriazole-5-carboxylate (CAS 113053-50-2), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: methyl 2H-benzotriazole-5-carboxylate.
Chemical Property Profile of methyl 1H-1,2,3-benzotriazole-5-carboxylate
Property Insights of methyl 1H-1,2,3-benzotriazole-5-carboxylate
The XLogP value of 0.7445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-1,2,3-benzotriazole-5-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1H-1,2,3-benzotriazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 1H-1,2,3-benzotriazole-5-carboxylate has 1 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 methyl 1H-1,2,3-benzotriazole-5-carboxylate?
The CAS number of methyl 1H-1,2,3-benzotriazole-5-carboxylate is 113053-50-2.
What is the molecular formula of methyl 1H-1,2,3-benzotriazole-5-carboxylate?
The molecular formula of methyl 1H-1,2,3-benzotriazole-5-carboxylate is C8H7N3O2.
What is the molecular weight of methyl 1H-1,2,3-benzotriazole-5-carboxylate?
The molecular weight of methyl 1H-1,2,3-benzotriazole-5-carboxylate is 177.05 g/mol.
Where can I buy methyl 1H-1,2,3-benzotriazole-5-carboxylate?
You can request a quote for methyl 1H-1,2,3-benzotriazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1H-1,2,3-benzotriazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-1,2,3-benzotriazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.