![methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate structure](/static/products/3510/35107-26-7.webp)
methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate
TL;DR: methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate (CAS 35107-26-7) is a chemical compound with molecular formula C17H16N8O2 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4,6-diamino-1,3,5-triazin-2-yl)anilino]diazenyl]benzoate
Also Known As: methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate, methyl 2-[[4-(4,6-diamino-1,3,5-triazin-2-yl)anilino]diazenyl]benzoate, methyl 2-[[4-(4,6-diamino-1,3,5-triazin-2-yl)anilino]diazeny, METHYL 2-[[4-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)PHENYL]AMINO]DIAZENYLBENZOATE
| Molecular Formula | C17H16N8O2 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.13962 |
| Heavy Atoms | 27 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 35107-26-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=NNC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N |
| InChIKey | YJQPKYHUABVOAO-UHFFFAOYSA-N |
Product Overview
methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate (CAS 35107-26-7), with molecular formula C17H16N8O2 and molecular weight 364.14 g/mol. IUPAC: methyl 2-[[4-(4,6-diamino-1,3,5-triazin-2-yl)anilino]diazenyl]benzoate.
Chemical Property Profile of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate
Property Insights of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate. The TPSA of 154.0 Ų indicates high polarity, suggesting methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate has 3 hydrogen bond donor(s) and 10 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 methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate?
The CAS number of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate is 35107-26-7.
What is the molecular formula of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate?
The molecular formula of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate is C17H16N8O2.
What is the molecular weight of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate?
The molecular weight of methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate is 364.14 g/mol.
Where can I buy methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate?
You can request a quote for methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{(1e)-3-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]triaz-1-en-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.