4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate
TL;DR: 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate (CAS 94030-79-2) is a chemical compound with molecular formula C21H13N3O and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate
Also Known As: EINECS 301-685-1, 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate, (4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate, 4-[[(4-Cyanophenyl)imino]phenylmethoxy]benzonitrile, N-(4-Cyanophenyl)benzenecarbimidic acid 4-cyanophenyl ester
| Molecular Formula | C21H13N3O |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 4.58726 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.10587 |
| Heavy Atoms | 25 |
| Complexity | 960.8949 |
Chemical Identifiers
| CAS Number | 94030-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)C#N |
Product Overview
4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate (CAS 94030-79-2), with molecular formula C21H13N3O and molecular weight 323.11 g/mol. IUPAC: (4-cyanophenyl) N-(4-cyanophenyl)benzenecarboximidate.
Chemical Property Profile of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate
Property Insights of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate
The XLogP value of 4.58726 indicates that 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate. Following Lipinski's Rule of Five, 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate has 0 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 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate?
The CAS number of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate is 94030-79-2.
What is the molecular formula of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate?
The molecular formula of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate is C21H13N3O.
What is the molecular weight of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate?
The molecular weight of 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate is 323.11 g/mol.
Where can I buy 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate?
You can request a quote for 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl N-(4-cyanophenyl)benzenecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.