Methyl 6-methoxy-1H-benzotriazole-5-carboxylate
TL;DR: Methyl 6-methoxy-1H-benzotriazole-5-carboxylate (CAS 59338-86-2) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methoxy-2H-benzotriazole-5-carboxylate
Also Known As: Methyl 6-methoxy-1H-benzotriazole-5-carboxylate, methyl 6-methoxy-2H-benzotriazole-5-carboxylate, Methyl 6-methoxy-1H-benzo[d][1,2,3]triazole-5-carboxylate, METHYL 6-METHOXY-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE, 6-Methoxy-1H-benzotriazole-5-carboxylic acid methyl ester
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 59338-86-2 |
|---|---|
| SMILES | COC1=CC2=NNN=C2C=C1C(=O)OC |
| InChIKey | ZNWDIENXWNBKIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-methoxy-1H-benzotriazole-5-carboxylate (CAS 59338-86-2), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: methyl 6-methoxy-2H-benzotriazole-5-carboxylate.
Chemical Property Profile of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate
Property Insights of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methoxy-1H-benzotriazole-5-carboxylate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methoxy-1H-benzotriazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 6-methoxy-1H-benzotriazole-5-carboxylate 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
Frequently Asked Questions
What is the CAS number of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate?
The CAS number of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate is 59338-86-2.
What is the molecular formula of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate?
The molecular formula of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate is C9H9N3O3.
What is the molecular weight of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate?
The molecular weight of Methyl 6-methoxy-1H-benzotriazole-5-carboxylate is 207.06 g/mol.
Where can I buy Methyl 6-methoxy-1H-benzotriazole-5-carboxylate?
You can request a quote for Methyl 6-methoxy-1H-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 6-methoxy-1H-benzotriazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methoxy-1H-benzotriazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.