2-Cyano-N-(heptan-2-yl)acetamide
TL;DR: 2-Cyano-N-(heptan-2-yl)acetamide (CAS 545342-69-6) is a chemical compound with molecular formula C10H18N2O and molecular weight 182.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-heptan-2-ylacetamide
Also Known As: 2-Cyano-N-(heptan-2-yl)acetamide, 2-cyano-N-heptan-2-ylacetamide, 2-cyano-N-heptan-2-yl-acetamide, 2-Cyano-N-(1-methyl-hexyl)-acetamide
| Molecular Formula | C10H18N2O |
|---|---|
| Molecular Weight | 182.14 g/mol |
| LogP | 1.98508 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.1419 |
| Heavy Atoms | 13 |
| Complexity | 183.85399 |
Chemical Identifiers
| CAS Number | 545342-69-6 |
|---|---|
| SMILES | CCCCCC(C)NC(=O)CC#N |
Product Overview
2-Cyano-N-(heptan-2-yl)acetamide (CAS 545342-69-6), with molecular formula C10H18N2O and molecular weight 182.14 g/mol. IUPAC: 2-cyano-N-heptan-2-ylacetamide.
Chemical Property Profile of 2-Cyano-N-(heptan-2-yl)acetamide
Property Insights of 2-Cyano-N-(heptan-2-yl)acetamide
The XLogP value of 1.98508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-N-(heptan-2-yl)acetamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-Cyano-N-(heptan-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-N-(heptan-2-yl)acetamide has 1 hydrogen bond donor(s) and 2 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-(heptan-2-yl)acetamide?
The CAS number of 2-Cyano-N-(heptan-2-yl)acetamide is 545342-69-6.
What is the molecular formula of 2-Cyano-N-(heptan-2-yl)acetamide?
The molecular formula of 2-Cyano-N-(heptan-2-yl)acetamide is C10H18N2O.
What is the molecular weight of 2-Cyano-N-(heptan-2-yl)acetamide?
The molecular weight of 2-Cyano-N-(heptan-2-yl)acetamide is 182.14 g/mol.
Where can I buy 2-Cyano-N-(heptan-2-yl)acetamide?
You can request a quote for 2-Cyano-N-(heptan-2-yl)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-(heptan-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-N-(heptan-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.