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Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate
TL;DR: Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate (CAS 62001-44-9) is a chemical compound with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzotriazol-1-ylmethylamino)benzoate
Also Known As: methyl 2-(benzotriazol-1-ylmethylamino)benzoate, Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate, Methyl 2-{[(1H-benzotriazol-1-yl)methyl]amino}benzoate
| Molecular Formula | C15H14N4O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.11166 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 62001-44-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NCN2C3=CC=CC=C3N=N2 |
| InChIKey | LSESTNNJWPJEQP-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate (CAS 62001-44-9), with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol. IUPAC: methyl 2-(benzotriazol-1-ylmethylamino)benzoate.
Chemical Property Profile of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate
Property Insights of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate
The XLogP value of 3.2 indicates that Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]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
Frequently Asked Questions
What is the CAS number of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate?
The CAS number of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate is 62001-44-9.
What is the molecular formula of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate?
The molecular formula of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate is C15H14N4O2.
What is the molecular weight of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate?
The molecular weight of Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate is 282.11 g/mol.
Where can I buy Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate?
You can request a quote for Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(1H-benzotriazol-1-ylmethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.