Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-
TL;DR: Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- (CAS 304455-99-0) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dihydroxyphenyl)methylideneamino]benzonitrile
Also Known As: 4-[(3,4-dihydroxybenzylidene)amino]benzonitrile, Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-, 4-([(E)-(3,4-Dihydroxyphenyl)methylidene]amino)benzonitrile #, 4-{[(E)-(3,4-dihydroxyphenyl)methylidene]amino}benzonitrile, 4-[(E)-[(3,4-DIHYDROXYPHENYL)METHYLIDENE]AMINO]BENZONITRILE
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 304455-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=CC2=CC(=C(C=C2)O)O |
| InChIKey | WGKIYMJXPWIUEU-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- (CAS 304455-99-0), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: 4-[(3,4-dihydroxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-
Property Insights of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- has 2 hydrogen bond donor(s) and 4 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 Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-?
The CAS number of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- is 304455-99-0.
What is the molecular formula of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-?
The molecular formula of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- is C14H10N2O2.
What is the molecular weight of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-?
The molecular weight of Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- is 238.07 g/mol.
Where can I buy Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-?
You can request a quote for Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(3,4-dihydroxybenzylidenamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.