3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile (CAS 27339-25-9) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile
Also Known As: Verapamil Impurity 20, EINECS 248-416-3, 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile, 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-oxopentanenitrile, 2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.10028 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 504.93372 |
Chemical Identifiers
| CAS Number | 27339-25-9 |
|---|---|
| SMILES | CC(C)C(CCC=O)(C#N)C1=CC(=C(C=C1)OC)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile (CAS 27339-25-9), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile
The XLogP value of 3.10028 indicates that 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile 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 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile is 27339-25-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile is C16H21NO3.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile is 275.15 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.