![2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide structure](/static/products/4974/4974-39-4.webp)
2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide
TL;DR: 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide (CAS 4974-39-4) is a chemical compound with molecular formula C13H21N3O and molecular weight 235.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]acetamide
Also Known As: Maybridge1_003104, 2-cyano-N-[(E)-(5-methyl-2-propan-2-ylcyclohexylidene)amino], 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide, 2-cyano-N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]acetamide
| Molecular Formula | C13H21N3O |
|---|---|
| Molecular Weight | 235.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.16846 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 4974-39-4 |
|---|---|
| SMILES | CC1CCC(C(=NNC(=O)CC#N)C1)C(C)C |
| InChIKey | AIFKMVJOMZBXPK-UHFFFAOYSA-N |
Product Overview
2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide (CAS 4974-39-4), with molecular formula C13H21N3O and molecular weight 235.17 g/mol. IUPAC: 2-cyano-N-[(5-methyl-2-propan-2-ylcyclohexylidene)amino]acetamide.
Chemical Property Profile of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide
Property Insights of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide. Following Lipinski's Rule of Five, 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide 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 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide?
The CAS number of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide is 4974-39-4.
What is the molecular formula of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide?
The molecular formula of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide is C13H21N3O.
What is the molecular weight of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide?
The molecular weight of 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide is 235.17 g/mol.
Where can I buy 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide?
You can request a quote for 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-[(5-methyl-2-propan-2-yl-cyclohexylidene)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.