2-Cyano-3-methylbutanamide
TL;DR: 2-Cyano-3-methylbutanamide (CAS 89600-60-2) is a chemical compound with molecular formula C6H10N2O and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-methylbutanamide
Also Known As: 2-cyano-3-methylbutanamide, NCIOpen2_003689, 2-cyano-3-methyl-butyric acid amide
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 89600-60-2 |
|---|---|
| SMILES | CC(C)C(C#N)C(=O)N |
| InChIKey | CLNJMIXFJQXEKR-UHFFFAOYSA-N |
Product Overview
2-Cyano-3-methylbutanamide (CAS 89600-60-2), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: 2-cyano-3-methylbutanamide.
Chemical Property Profile of 2-Cyano-3-methylbutanamide
Property Insights of 2-Cyano-3-methylbutanamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-methylbutanamide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-methylbutanamide. Following Lipinski's Rule of Five, 2-Cyano-3-methylbutanamide 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-3-methylbutanamide?
The CAS number of 2-Cyano-3-methylbutanamide is 89600-60-2.
What is the molecular formula of 2-Cyano-3-methylbutanamide?
The molecular formula of 2-Cyano-3-methylbutanamide is C6H10N2O.
What is the molecular weight of 2-Cyano-3-methylbutanamide?
The molecular weight of 2-Cyano-3-methylbutanamide is 126.08 g/mol.
Where can I buy 2-Cyano-3-methylbutanamide?
You can request a quote for 2-Cyano-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.