Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate
TL;DR: Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate (CAS 124676-16-0) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-2-(benzotriazol-1-yl)acetate
Also Known As: starbld0014116, Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate, ethyl 2-benzamido-2-(benzotriazol-1-yl)acetate, Ethyl 2-benzamido-2-benzotriazol-1-yl-acetate, Ethyl 2-benzamido-2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate
| Molecular Formula | C17H16N4O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 1.923 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.12225 |
| Heavy Atoms | 24 |
| Complexity | 860.41284 |
Chemical Identifiers
| CAS Number | 124676-16-0 |
|---|---|
| SMILES | CCOC(=O)C(NC(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
Product Overview
Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate (CAS 124676-16-0), with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol. IUPAC: ethyl 2-benzamido-2-(benzotriazol-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate
Property Insights of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate
The XLogP value of 1.923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate. Following Lipinski's Rule of Five, Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate 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 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate?
The CAS number of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate is 124676-16-0.
What is the molecular formula of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate?
The molecular formula of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate is C17H16N4O3.
What is the molecular weight of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate?
The molecular weight of Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate is 324.12 g/mol.
Where can I buy Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate?
You can request a quote for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)-2-(phenylformamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.