cis,trans-4-Methoxycinnamonitrile
TL;DR: cis,trans-4-Methoxycinnamonitrile (CAS 130820-88-1) is a chemical compound with molecular formula C10H9NO and molecular weight 159.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 4-Methoxycinnamonitrile, p-Methoxycinnamonitrile, 3-(4-methoxyphenyl)acrylonitrile, 2-Propenenitrile, 3-(4-methoxyphenyl)-, CINNAMONITRILE, p-METHOXY-
Technical Specifications
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.06842 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C#N |
| InChIKey | CNBCNHHPIBKYBO-NSCUHMNNSA-N |
Chemical Property Profile of cis,trans-4-Methoxycinnamonitrile
Property Insights of cis,trans-4-Methoxycinnamonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis,trans-4-Methoxycinnamonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, cis,trans-4-Methoxycinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis,trans-4-Methoxycinnamonitrile 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
What is the CAS number of cis,trans-4-Methoxycinnamonitrile?
The CAS number of cis,trans-4-Methoxycinnamonitrile is 130820-88-1.
What is the molecular formula of cis,trans-4-Methoxycinnamonitrile?
The molecular formula of cis,trans-4-Methoxycinnamonitrile is C10H9NO.
What is the molecular weight of cis,trans-4-Methoxycinnamonitrile?
The molecular weight of cis,trans-4-Methoxycinnamonitrile is 159.06842 g/mol.
Where can I buy cis,trans-4-Methoxycinnamonitrile?
You can request a quote for cis,trans-4-Methoxycinnamonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis,trans-4-Methoxycinnamonitrile?
Yes, CoreyChem provides custom synthesis services for cis,trans-4-Methoxycinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.