2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-
TL;DR: 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- (CAS 1334377-90-0) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2E,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
Also Known As: Methyl 2-cyano-5-dimethylamino-penta-2,4-dienoate, methyl (2E,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate, 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 281.0 |
| SMILES | CN(C)/C=C/C=C(\C#N)/C(=O)OC |
| InChIKey | OFZMWVQHUZIHGB-HLQBBKRNSA-N |
Chemical Property Profile of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-
Property Insights of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-. With a topological polar surface area (TPSA) of 53.3 Ų, 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- 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 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-?
The CAS number of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- is 1334377-90-0.
What is the molecular formula of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-?
The molecular formula of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- is C9H12N2O2.
What is the molecular weight of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-?
The molecular weight of 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- is 180.08987 g/mol.
Where can I buy 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-?
You can request a quote for 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)-?
Yes, CoreyChem provides custom synthesis services for 2,4-Pentadienoic acid, 2-cyano-5-(dimethylamino)-, methyl ester, (2E,4E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.