![Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate structure](/static/products/6200/62001-47-2.webp)
Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate
TL;DR: Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate (CAS 62001-47-2) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzotriazol-1-ylmethylamino)benzoate
Also Known As: starbld0014887, Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate, ethyl 4-(benzotriazol-1-ylmethylamino)benzoate, ethyl 4-[(benzotriazolylmethyl)amino]benzoate, ethyl 4-[(1H-benzotriazol-1-ylmethyl)amino]benzoate
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 62001-47-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | HHXVISRVBOXBIC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate (CAS 62001-47-2), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: ethyl 4-(benzotriazol-1-ylmethylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate
Property Insights of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate
The XLogP value of 3.2 indicates that Ethyl 4-[(1H-1,2,3-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 Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(1H-1,2,3-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 Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate?
The CAS number of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate is 62001-47-2.
What is the molecular formula of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate?
The molecular formula of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate is C16H16N4O2.
What is the molecular weight of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate?
The molecular weight of Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate is 296.13 g/mol.
Where can I buy Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate?
You can request a quote for Ethyl 4-[(1H-1,2,3-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 Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.