Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
TL;DR: Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) (CAS 129320-07-6) is a chemical compound with molecular formula C16H29NO6 and molecular weight 331.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl octanoate
Also Known As: 2-(Dimethylamino)ethyl octanoate maleate (1:1), Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-dimethylaminoethyl octanoate
Technical Specifications
| Molecular Formula | C16H29NO6 |
| Molecular Weight | 331.1995 g/mol |
| XLogP | 2.1635 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 331.1995 Da |
| Heavy Atoms | 23 |
| Complexity | 277.0 |
| SMILES | CCCCCCCC(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | GTQOMVKECSCGPS-WLHGVMLRSA-N |
Chemical Property Profile of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
Property Insights of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
The XLogP value of 2.1635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The CAS number of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 129320-07-6.
What is the molecular formula of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The molecular formula of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is C16H29NO6.
What is the molecular weight of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The molecular weight of Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 331.1995 g/mol.
Where can I buy Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
You can request a quote for Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Octanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.