![Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate structure](/static/products/6912/69123-63-3.webp)
Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate
TL;DR: Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate (CAS 69123-63-3) is a chemical compound with molecular formula C22H23N7O6 and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate
Also Known As: Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate, ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,, ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate, ethyl 4-[[5-[(4-ethoxycarbonylphenyl)carbamoylamino]-2H-1,2,4-triazol-3-yl]carbamoylamino]benzoate
| Molecular Formula | C22H23N7O6 |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.171 |
| Heavy Atoms | 35 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 69123-63-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC(=NN2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC |
| InChIKey | WPGQOTRECFBSJW-UHFFFAOYSA-N |
Product Overview
Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate (CAS 69123-63-3), with molecular formula C22H23N7O6 and molecular weight 481.17 g/mol. IUPAC: ethyl 4-[[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-1H-1,2,4-triazol-5-yl]carbamoylamino]benzoate.
Chemical Property Profile of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate
Property Insights of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate. The TPSA of 176.0 Ų indicates high polarity, suggesting Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate has 5 hydrogen bond donor(s) and 8 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 Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate?
The CAS number of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate is 69123-63-3.
What is the molecular formula of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate?
The molecular formula of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate is C22H23N7O6.
What is the molecular weight of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate?
The molecular weight of Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate is 481.17 g/mol.
Where can I buy Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate?
You can request a quote for Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,4'-[1H-1,2,4-triazole-3,5-diylbis(carbamoylazanediyl)]dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.