3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile (CAS 136831-48-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
Also Known As: TyrphostinRG13022, Tyrphostin RG13022;, TYRPHOSTIN RG 13022, Tyrphostin RG 13022, >=98%, RG 13022
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.10553 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.10553 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC |
| InChIKey | DBGZNJVTHYFQJI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile 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
What is the CAS number of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile is 136831-48-6.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile is C16H14N2O2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile is 266.10553 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.