4-Acetyl-4-isopropenyl-heptanedinitrile
TL;DR: 4-Acetyl-4-isopropenyl-heptanedinitrile (CAS 20033-00-5) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-4-prop-1-en-2-ylheptanedinitrile
Also Known As: A-acetyl-, A-isopropenylpimelonitrile, 4-acetyl-4-isopropenyl-heptanedinitrile, ethyl 4-[diethoxy(methyl)silyl]butanoate, gamma-Acetyl-gamma-isopropenylpimelonitrile
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 20033-00-5 |
|---|---|
| SMILES | CC(=C)C(CCC#N)(CCC#N)C(=O)C |
| InChIKey | GQXHZFIFOVAOCM-UHFFFAOYSA-N |
Product Overview
4-Acetyl-4-isopropenyl-heptanedinitrile (CAS 20033-00-5), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 4-acetyl-4-prop-1-en-2-ylheptanedinitrile.
Chemical Property Profile of 4-Acetyl-4-isopropenyl-heptanedinitrile
Property Insights of 4-Acetyl-4-isopropenyl-heptanedinitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-4-isopropenyl-heptanedinitrile. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-4-isopropenyl-heptanedinitrile. Following Lipinski's Rule of Five, 4-Acetyl-4-isopropenyl-heptanedinitrile has 0 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 4-Acetyl-4-isopropenyl-heptanedinitrile?
The CAS number of 4-Acetyl-4-isopropenyl-heptanedinitrile is 20033-00-5.
What is the molecular formula of 4-Acetyl-4-isopropenyl-heptanedinitrile?
The molecular formula of 4-Acetyl-4-isopropenyl-heptanedinitrile is C12H16N2O.
What is the molecular weight of 4-Acetyl-4-isopropenyl-heptanedinitrile?
The molecular weight of 4-Acetyl-4-isopropenyl-heptanedinitrile is 204.13 g/mol.
Where can I buy 4-Acetyl-4-isopropenyl-heptanedinitrile?
You can request a quote for 4-Acetyl-4-isopropenyl-heptanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-4-isopropenyl-heptanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-isopropenyl-heptanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.