Methyl 1H-benzotriazole-1-carboxylate
TL;DR: Methyl 1H-benzotriazole-1-carboxylate (CAS 86298-22-8) 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 benzotriazole-1-carboxylate
Also Known As: Methyl 1H-benzotriazole-1-carboxylate, Methyl Benzotriazole-1-carboxylate, 1H-benzotriazole-1-carboxylic acid methyl ester, METHYL 1H-BENZOTRIAZOLE-1-CARBOXYLATE, 9, methyl 1H-1,2,3-benzotriazole-1-carboxylate
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.0458 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 449.3408 |
Chemical Identifiers
| CAS Number | 86298-22-8 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
Methyl 1H-benzotriazole-1-carboxylate (CAS 86298-22-8), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: methyl benzotriazole-1-carboxylate.
Chemical Property Profile of Methyl 1H-benzotriazole-1-carboxylate
Property Insights of Methyl 1H-benzotriazole-1-carboxylate
The XLogP value of 1.0458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1H-benzotriazole-1-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 1H-benzotriazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1H-benzotriazole-1-carboxylate has 0 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-benzotriazole-1-carboxylate?
The CAS number of Methyl 1H-benzotriazole-1-carboxylate is 86298-22-8.
What is the molecular formula of Methyl 1H-benzotriazole-1-carboxylate?
The molecular formula of Methyl 1H-benzotriazole-1-carboxylate is C8H7N3O2.
What is the molecular weight of Methyl 1H-benzotriazole-1-carboxylate?
The molecular weight of Methyl 1H-benzotriazole-1-carboxylate is 177.05 g/mol.
Where can I buy Methyl 1H-benzotriazole-1-carboxylate?
You can request a quote for Methyl 1H-benzotriazole-1-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-benzotriazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1H-benzotriazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.