Heptanenitrile, 4-acetyl-
TL;DR: Heptanenitrile, 4-acetyl- (CAS 55320-41-7) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylheptanenitrile
Also Known As: 4-Acetylheptanenitrile, 4-acetyl-heptanenitrile, Heptanenitrile, 4-acetyl-, 4-Acetylheptanenitrile #
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 55320-41-7 |
|---|---|
| SMILES | CCCC(CCC#N)C(=O)C |
| InChIKey | QFLFYMSAKSBTEL-UHFFFAOYSA-N |
Product Overview
Heptanenitrile, 4-acetyl- (CAS 55320-41-7), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 4-acetylheptanenitrile.
Chemical Property Profile of Heptanenitrile, 4-acetyl-
Property Insights of Heptanenitrile, 4-acetyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanenitrile, 4-acetyl-. With a topological polar surface area (TPSA) of 40.9 Ų, Heptanenitrile, 4-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanenitrile, 4-acetyl- 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 Heptanenitrile, 4-acetyl-?
The CAS number of Heptanenitrile, 4-acetyl- is 55320-41-7.
What is the molecular formula of Heptanenitrile, 4-acetyl-?
The molecular formula of Heptanenitrile, 4-acetyl- is C9H15NO.
What is the molecular weight of Heptanenitrile, 4-acetyl-?
The molecular weight of Heptanenitrile, 4-acetyl- is 153.12 g/mol.
Where can I buy Heptanenitrile, 4-acetyl-?
You can request a quote for Heptanenitrile, 4-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanenitrile, 4-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for Heptanenitrile, 4-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.