4-tert-butyl-N,N-bis(cyanomethyl)benzamide
TL;DR: 4-tert-butyl-N,N-bis(cyanomethyl)benzamide (CAS 302909-58-6) is a chemical compound with molecular formula C15H17N3O and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N,N-bis(cyanomethyl)benzamide
Also Known As: TimTec1_000616, 4-tert-butyl-N,N-bis(cyanomethyl)benzamide, BRD-K03752115-001-01-8, [4-(tert-butyl)phenyl]-N,N-bis(cyanomethyl)carboxamide
| Molecular Formula | C15H17N3O |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.13716 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 302909-58-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC#N)CC#N |
| InChIKey | SGEDVNOZOQJQBR-UHFFFAOYSA-N |
Product Overview
4-tert-butyl-N,N-bis(cyanomethyl)benzamide (CAS 302909-58-6), with molecular formula C15H17N3O and molecular weight 255.14 g/mol. IUPAC: 4-tert-butyl-N,N-bis(cyanomethyl)benzamide.
Chemical Property Profile of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide
Property Insights of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl-N,N-bis(cyanomethyl)benzamide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N,N-bis(cyanomethyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N,N-bis(cyanomethyl)benzamide has 0 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 4-tert-butyl-N,N-bis(cyanomethyl)benzamide?
The CAS number of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide is 302909-58-6.
What is the molecular formula of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide?
The molecular formula of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide is C15H17N3O.
What is the molecular weight of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide?
The molecular weight of 4-tert-butyl-N,N-bis(cyanomethyl)benzamide is 255.14 g/mol.
Where can I buy 4-tert-butyl-N,N-bis(cyanomethyl)benzamide?
You can request a quote for 4-tert-butyl-N,N-bis(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-tert-butyl-N,N-bis(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N,N-bis(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.