4-Methyl-2-oxopent-3-enenitrile
TL;DR: 4-Methyl-2-oxopent-3-enenitrile (CAS 38576-60-2) is a chemical compound with molecular formula C6H7NO and molecular weight 109.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enoyl cyanide
Also Known As: 3-methylbut-2-enoyl cyanide, beta,beta-Dimethylacryloylcyanid, 3-Methyl-2-butenoyl cyanide, 4-methyl-2-oxopent-3-enenitrile, 2-Oxo-4-methyl-3-pentenenitrile
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 38576-60-2 |
|---|---|
| SMILES | CC(=CC(=O)C#N)C |
| InChIKey | GBUKOZQUKPOCDW-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxopent-3-enenitrile (CAS 38576-60-2), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 3-methylbut-2-enoyl cyanide.
Chemical Property Profile of 4-Methyl-2-oxopent-3-enenitrile
Property Insights of 4-Methyl-2-oxopent-3-enenitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxopent-3-enenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Methyl-2-oxopent-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-oxopent-3-enenitrile has 0 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 4-Methyl-2-oxopent-3-enenitrile?
The CAS number of 4-Methyl-2-oxopent-3-enenitrile is 38576-60-2.
What is the molecular formula of 4-Methyl-2-oxopent-3-enenitrile?
The molecular formula of 4-Methyl-2-oxopent-3-enenitrile is C6H7NO.
What is the molecular weight of 4-Methyl-2-oxopent-3-enenitrile?
The molecular weight of 4-Methyl-2-oxopent-3-enenitrile is 109.05 g/mol.
Where can I buy 4-Methyl-2-oxopent-3-enenitrile?
You can request a quote for 4-Methyl-2-oxopent-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-oxopent-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxopent-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.