![Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate structure](/static/products/3531/35317-30-7.webp)
Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate
TL;DR: Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate (CAS 35317-30-7) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-cyanoanilino)diazenyl]benzoate
Also Known As: methyl 2-[(4-cyanoanilino)diazenyl]benzoate, methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate, 1-p-Cyanophenyl-3-o-methoxycarbonylphenyl-triazen
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 35317-30-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=NNC2=CC=C(C=C2)C#N |
| InChIKey | SGXCZZWMFQPRJA-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate (CAS 35317-30-7), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: methyl 2-[(4-cyanoanilino)diazenyl]benzoate.
Chemical Property Profile of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate
Property Insights of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate
The XLogP value of 3.6 indicates that Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate 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 Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate?
The CAS number of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate is 35317-30-7.
What is the molecular formula of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate?
The molecular formula of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate is C15H12N4O2.
What is the molecular weight of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate?
The molecular weight of Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate is 280.10 g/mol.
Where can I buy Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate?
You can request a quote for Methyl 2-[(1e)-3-(4-cyanophenyl)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-cyanophenyl)triaz-1-en-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.