C21H16N4
TL;DR: C21H16N4 (CAS 167704-34-9) is a chemical compound with molecular formula C21H16N4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-5-[(E)-(3-methylphenyl)methylideneamino]-1H-pyrrole-3,4-dicarbonitrile
Also Known As: (E)-2-((3-methylbenzylidene)amino)-5-(m-tolyl)-1H-pyrrole-3,4-dicarbonitrile, 2-(3-methylphenyl)-5-{[(E)-(3-methylphenyl)methylidene]amino}-1H-pyrrole-3,4-dicarbonitrile
| Molecular Formula | C21H16N4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.7925 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.13748 |
| Heavy Atoms | 25 |
| Complexity | 1042.4885 |
Chemical Identifiers
| CAS Number | 167704-34-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=N/C2=C(C(=C(N2)C3=CC=CC(=C3)C)C#N)C#N |
Product Overview
C21H16N4 (CAS 167704-34-9), with molecular formula C21H16N4 and molecular weight 324.14 g/mol. IUPAC: 2-(3-methylphenyl)-5-[(E)-(3-methylphenyl)methylideneamino]-1H-pyrrole-3,4-dicarbonitrile.
Chemical Property Profile of C21H16N4
Property Insights of C21H16N4
The XLogP value of 4.7925 indicates that C21H16N4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H16N4. Following Lipinski's Rule of Five, C21H16N4 has 1 hydrogen bond donor(s) and 3 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 C21H16N4?
The CAS number of C21H16N4 is 167704-34-9.
What is the molecular formula of C21H16N4?
The molecular formula of C21H16N4 is C21H16N4.
What is the molecular weight of C21H16N4?
The molecular weight of C21H16N4 is 324.14 g/mol.
Where can I buy C21H16N4?
You can request a quote for C21H16N4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16N4?
Yes, KEHONG BIO provides custom synthesis services for C21H16N4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.