2-(二甲氨基)己基己-2,4-二烯酸酯
TL;DR: 2-(二甲氨基)己基己-2,4-二烯酸酯 (CAS 16899-74-4) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(二甲氨基)己基己-2,4-二烯酸酯
2-(dimethylamino)ethyl hexa-2,4-dienoate
Also Known As: Dimethylaminoethyl sorbate, 2-(dimethylamino)ethyl hexa-2,4-dienoate, Sorbic acid, (2-dimethylamino)ethyl ester, 2-dimethylaminoethyl hexa-2,4-dienoate, Sorbic acid, 2-(dimethylamino)ethyl ester
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 16899-74-4 |
|---|---|
| SMILES | CC=CC=CC(=O)OCCN(C)C |
| InChIKey | BBGPLJAAAZDEGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(二甲氨基)己基己-2,4-二烯酸酯 (CAS 16899-74-4), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 2-(dimethylamino)ethyl hexa-2,4-dienoate.
Chemical Property Profile of 2-(二甲氨基)己基己-2,4-二烯酸酯
Property Insights of 2-(二甲氨基)己基己-2,4-二烯酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(二甲氨基)己基己-2,4-二烯酸酯. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(二甲氨基)己基己-2,4-二烯酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(二甲氨基)己基己-2,4-二烯酸酯 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 2-(二甲氨基)己基己-2,4-二烯酸酯?
The CAS number of 2-(二甲氨基)己基己-2,4-二烯酸酯 is 16899-74-4.
What is the molecular formula of 2-(二甲氨基)己基己-2,4-二烯酸酯?
The molecular formula of 2-(二甲氨基)己基己-2,4-二烯酸酯 is C10H17NO2.
What is the molecular weight of 2-(二甲氨基)己基己-2,4-二烯酸酯?
The molecular weight of 2-(二甲氨基)己基己-2,4-二烯酸酯 is 183.13 g/mol.
Where can I buy 2-(二甲氨基)己基己-2,4-二烯酸酯?
You can request a quote for 2-(二甲氨基)己基己-2,4-二烯酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(二甲氨基)己基己-2,4-二烯酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(二甲氨基)己基己-2,4-二烯酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.