4-(acetylamino)-N,N-bis(cyanomethyl)benzamide
TL;DR: 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide (CAS 329930-64-5) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-N,N-bis(cyanomethyl)benzamide
Also Known As: TimTec1_000482, 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide, 4-acetamido-N,N-bis(cyanomethyl)benzamide, N,N-BIS(CYANOMETHYL)-4-ACETAMIDOBENZAMIDE, BRD-K95298124-001-01-0
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 329930-64-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)N(CC#N)CC#N |
| InChIKey | MCJNJXFYYDCHKL-UHFFFAOYSA-N |
Product Overview
4-(acetylamino)-N,N-bis(cyanomethyl)benzamide (CAS 329930-64-5), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 4-acetamido-N,N-bis(cyanomethyl)benzamide.
Chemical Property Profile of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide
Property Insights of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide. Following Lipinski's Rule of Five, 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide has 1 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-(acetylamino)-N,N-bis(cyanomethyl)benzamide?
The CAS number of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide is 329930-64-5.
What is the molecular formula of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide?
The molecular formula of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide is C13H12N4O2.
What is the molecular weight of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide?
The molecular weight of 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide is 256.10 g/mol.
Where can I buy 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide?
You can request a quote for 4-(acetylamino)-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-(acetylamino)-N,N-bis(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(acetylamino)-N,N-bis(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.