2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester
TL;DR: 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester (CAS 23130-34-9) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-5-(dimethylamino)penta-2,4-dienoate
Also Known As: ethyl 2-acetyl-5-(dimethylamino)penta-2,4-dienoate, 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester, Ethyl 2-acetyl-5-dimethylamino-penta-2,4-dienoate, 6-dimethylamino-3-ethoxycarbonyl-3,5-hexadien-2-one, RefChem:246865
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.1402 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 290.20816 |
Chemical Identifiers
| CAS Number | 23130-34-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC=CN(C)C)C(=O)C |
Product Overview
2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester (CAS 23130-34-9), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: ethyl 2-acetyl-5-(dimethylamino)penta-2,4-dienoate.
Chemical Property Profile of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester
Property Insights of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester
The XLogP value of 1.1402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester 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 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester?
The CAS number of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester is 23130-34-9.
What is the molecular formula of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester?
The molecular formula of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester is C11H17NO3.
What is the molecular weight of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester?
The molecular weight of 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester is 211.12 g/mol.
Where can I buy 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester?
You can request a quote for 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentadienoic acid, 2-acetyl-5-(dimethylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.