4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile
TL;DR: 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile (CAS 834906-92-2) is a chemical compound with molecular formula C23H15N5O2 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-propionylphenoxy)phthalonitrile, 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile, 4-(benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile
| Molecular Formula | C23H15N5O2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 4.54886 |
| Topological Polar Surface Area | 104.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1226 |
| Heavy Atoms | 30 |
| Complexity | 1341.019 |
Chemical Identifiers
| CAS Number | 834906-92-2 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3 |
Product Overview
4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile (CAS 834906-92-2), with molecular formula C23H15N5O2 and molecular weight 393.12 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile
Property Insights of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile
The XLogP value of 4.54886 indicates that 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile has 0 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 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile?
The CAS number of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile is 834906-92-2.
What is the molecular formula of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile is C23H15N5O2.
What is the molecular weight of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile is 393.12 g/mol.
Where can I buy 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-benzotriazol-1-yl)-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.