4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile
TL;DR: 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile (CAS 708283-36-7) is a chemical compound with molecular formula C24H13N5O3 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile
Also Known As: 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile, 4-(1H-benzotriazol-1-yl)-5-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]benzene-1,2-dicarbonitrile, 4-(1H-1,2,3-benzotriazol-1-yl)-5-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phthalonitrile
| Molecular Formula | C24H13N5O3 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 4.37098 |
| Topological Polar Surface Area | 117.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.10184 |
| Heavy Atoms | 32 |
| Complexity | 1667.9972 |
Chemical Identifiers
| CAS Number | 708283-36-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4 |
Product Overview
4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile (CAS 708283-36-7), with molecular formula C24H13N5O3 and molecular weight 419.10 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile
Property Insights of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile
The XLogP value of 4.37098 indicates that 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 7 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-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile?
The CAS number of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile is 708283-36-7.
What is the molecular formula of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile?
The molecular formula of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile is C24H13N5O3.
What is the molecular weight of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile?
The molecular weight of 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile is 419.10 g/mol.
Where can I buy 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile?
You can request a quote for 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-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-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzotriazol-1-yl)-5-(4-methyl-2-oxochromen-7-yl)oxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.