5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
TL;DR: 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide (CAS 901017-71-8) is a chemical compound with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
Also Known As: ChemDiv2_006512, IDI1_005227, 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide, 5-amino-N-benzyl-1-[(phenylcarbamoyl)methyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-benzyl-1-[2-oxo-2-(phenylamino)ethyl]-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C18H18N6O2 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 1.429 |
| Topological Polar Surface Area | 114.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1491 |
| Heavy Atoms | 26 |
| Complexity | 892.5595 |
Chemical Identifiers
| CAS Number | 901017-71-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N |
Product Overview
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide (CAS 901017-71-8), with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol. IUPAC: 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
Property Insights of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
The XLogP value of 1.429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide. The TPSA of 114.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide has 3 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 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The CAS number of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide is 901017-71-8.
What is the molecular formula of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The molecular formula of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide is C18H18N6O2.
What is the molecular weight of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The molecular weight of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide is 350.15 g/mol.
Where can I buy 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
You can request a quote for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.