4-Acetyl-4-phenylheptanedinitrile
TL;DR: 4-Acetyl-4-phenylheptanedinitrile (CAS 13136-04-4) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-4-phenylheptanedinitrile
Also Known As: 4-Acetyl-4-phenylheptanedinitrile, Heptanedinitrile, 4-acetyl-4-phenyl-, Heptanedinitrile,4-acetyl-4-phenyl-, 4-Phenyl-4-acetyl-pimelinsaeure-dinitril, 3-acetyl-3-phenylpentane-1,5-dicarbonitrile
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 13136-04-4 |
|---|---|
| SMILES | CC(=O)C(CCC#N)(CCC#N)C1=CC=CC=C1 |
| InChIKey | DSSSILUHCSFGGI-UHFFFAOYSA-N |
Product Overview
4-Acetyl-4-phenylheptanedinitrile (CAS 13136-04-4), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: 4-acetyl-4-phenylheptanedinitrile.
Chemical Property Profile of 4-Acetyl-4-phenylheptanedinitrile
Property Insights of 4-Acetyl-4-phenylheptanedinitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-4-phenylheptanedinitrile. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-4-phenylheptanedinitrile. Following Lipinski's Rule of Five, 4-Acetyl-4-phenylheptanedinitrile 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-phenylheptanedinitrile?
The CAS number of 4-Acetyl-4-phenylheptanedinitrile is 13136-04-4.
What is the molecular formula of 4-Acetyl-4-phenylheptanedinitrile?
The molecular formula of 4-Acetyl-4-phenylheptanedinitrile is C15H16N2O.
What is the molecular weight of 4-Acetyl-4-phenylheptanedinitrile?
The molecular weight of 4-Acetyl-4-phenylheptanedinitrile is 240.13 g/mol.
Where can I buy 4-Acetyl-4-phenylheptanedinitrile?
You can request a quote for 4-Acetyl-4-phenylheptanedinitrile 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-phenylheptanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-phenylheptanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.