3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester
TL;DR: 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester (CAS 73256-44-7) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethylamino)-3-ethylpenta-3,4-dienoate
Also Known As: methyl 3-ethenylidene-N,N-diethylnorvalinate, NCI60_009342, methyl 2-(diethylamino)-3-ethylpenta-3,4-dienoate, 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester, methyl 2-(diethylamino)-3-ethyl-penta-3,4-dienoate
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 73256-44-7 |
|---|---|
| SMILES | CCC(=C=C)C(C(=O)OC)N(CC)CC |
| InChIKey | RMRHIPATFGYXCI-UHFFFAOYSA-N |
Product Overview
3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester (CAS 73256-44-7), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: methyl 2-(diethylamino)-3-ethylpenta-3,4-dienoate.
Chemical Property Profile of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester
Property Insights of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester has 0 hydrogen bond donor(s) and 3 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 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester?
The CAS number of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester is 73256-44-7.
What is the molecular formula of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester?
The molecular formula of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester is C12H21NO2.
What is the molecular weight of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester?
The molecular weight of 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester is 211.16 g/mol.
Where can I buy 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester?
You can request a quote for 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Pentadienoic acid, 2-(diethylamino)-3-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.