1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-
TL;DR: 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- (CAS 58422-90-5) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-7-(2-phenyl-1,3-dioxolan-2-yl)heptanenitrile
Also Known As: 2-Methyl-5-oxo-7-(2-phenyl-1,3-dioxolan-2-yl)heptanenitrile, 2-Methyl-5-oxo-7-(2-phenyl-[1,3]dioxolan-2-yl)-heptanenitrile, alpha-Methyl-delta-oxo-2-phenyl-1,3-dioxolane-2-heptanenitrile, 1,3-Dioxolane-2-heptanenitrile, .alpha.-methyl-.delta.-oxo-2-phenyl-, 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 58422-90-5 |
|---|---|
| SMILES | CC(CCC(=O)CCC1(OCCO1)C2=CC=CC=C2)C#N |
| InChIKey | RXCQJNYVWMHMEO-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- (CAS 58422-90-5), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 2-methyl-5-oxo-7-(2-phenyl-1,3-dioxolan-2-yl)heptanenitrile.
Chemical Property Profile of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-
Property Insights of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-. With a topological polar surface area (TPSA) of 59.3 Ų, 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- has 0 hydrogen bond donor(s) and 4 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 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-?
The CAS number of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- is 58422-90-5.
What is the molecular formula of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-?
The molecular formula of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- is C17H21NO3.
What is the molecular weight of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-?
The molecular weight of 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- is 287.15 g/mol.
Where can I buy 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-?
You can request a quote for 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-heptanenitrile, alpha-methyl-delta-oxo-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.