3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile (CAS 127581-20-8) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile
Also Known As: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile, BAS 00335329, 4-Cyano-4-(3,4-dimethoxy-phenyl)-heptanedinitrile, 3-(3,4-dimethoxyphenyl)-1,3,5-pentanetricarbonitrile
Technical Specifications
| Molecular Formula | C16H17N3O2 |
| Molecular Weight | 283.13208 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.13208 Da |
| Heavy Atoms | 21 |
| Complexity | 455.0 |
| SMILES | COC1=C(C=C(C=C1)C(CCC#N)(CCC#N)C#N)OC |
| InChIKey | FXXRVYJJWSQYJV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile is 127581-20-8.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile is C16H17N3O2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile is 283.13208 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)pentane-1,3,5-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.