dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate
TL;DR: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate (CAS 54028-50-1) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate
Also Known As: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 54028-50-1 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NC(=NN1)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | BMZHOJXXMFTZPU-UHFFFAOYSA-N |
Product Overview
dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate (CAS 54028-50-1), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate.
Chemical Property Profile of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate
Property Insights of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate
The XLogP value of 3.9 indicates that dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate?
The CAS number of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate is 54028-50-1.
What is the molecular formula of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate?
The molecular formula of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate is C20H17N3O4.
What is the molecular weight of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate?
The molecular weight of dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate is 363.12 g/mol.
Where can I buy dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate?
You can request a quote for dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5,6-diphenyl-1H-1,2,4-triazepine-3,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.