4-(cyanomethyl)benzamide
TL;DR: 4-(cyanomethyl)benzamide (CAS 114365-07-0) is a chemical compound with molecular formula C22H24N6OS and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-phenyl-N-[(13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methoxy]ethanimine
Also Known As: 4-(cyanomethyl)benzamide
| Molecular Formula | C22H24N6OS |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 4.0463 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.17322 |
| Heavy Atoms | 30 |
| Complexity | 1226.8751 |
Chemical Identifiers
| CAS Number | 114365-07-0 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CO/N=C(\C)/C5=CC=CC=C5 |
Product Overview
4-(cyanomethyl)benzamide (CAS 114365-07-0), with molecular formula C22H24N6OS and molecular weight 420.17 g/mol. IUPAC: (E)-1-phenyl-N-[(13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methoxy]ethanimine.
Chemical Property Profile of 4-(cyanomethyl)benzamide
Property Insights of 4-(cyanomethyl)benzamide
The XLogP value of 4.0463 indicates that 4-(cyanomethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(cyanomethyl)benzamide. Following Lipinski's Rule of Five, 4-(cyanomethyl)benzamide 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-(cyanomethyl)benzamide?
The CAS number of 4-(cyanomethyl)benzamide is 114365-07-0.
What is the molecular formula of 4-(cyanomethyl)benzamide?
The molecular formula of 4-(cyanomethyl)benzamide is C22H24N6OS.
What is the molecular weight of 4-(cyanomethyl)benzamide?
The molecular weight of 4-(cyanomethyl)benzamide is 420.17 g/mol.
Where can I buy 4-(cyanomethyl)benzamide?
You can request a quote for 4-(cyanomethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.