![4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate structure](/static/products/397/397275-90-0.png)
4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate
TL;DR: 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate (CAS 397275-90-0) is a chemical compound with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 4-methylbenzoate
Also Known As: 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate, F0784-0375, (E)-4-(2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)phenyl 4-methylbenzoate, [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 4-methylbenzoate
| Molecular Formula | C24H22N4O2 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 4.5963 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1743 |
| Heavy Atoms | 30 |
| Complexity | 1119.5078 |
Chemical Identifiers
| CAS Number | 397275-90-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=NN=C4N3CCCCC4 |
Product Overview
4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate (CAS 397275-90-0), with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol. IUPAC: [4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate
Property Insights of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate
The XLogP value of 4.5963 indicates that 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate. Following Lipinski's Rule of Five, 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate has 0 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 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate?
The CAS number of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate is 397275-90-0.
What is the molecular formula of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate?
The molecular formula of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate is C24H22N4O2.
What is the molecular weight of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate?
The molecular weight of 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate is 398.17 g/mol.
Where can I buy 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate?
You can request a quote for 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-cyano-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}eth-1-en-1-yl]phenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.