Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
TL;DR: Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) (CAS 129320-06-5) is a chemical compound with molecular formula C15H27NO6 and molecular weight 317.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl heptanoate
Also Known As: 2-(Dimethylamino)ethyl heptanoate (Z)-2-butenedioate (1:1), Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-dimethylaminoethyl heptanoate, RefChem:1086442
| Molecular Formula | C15H27NO6 |
|---|---|
| Molecular Weight | 317.18 g/mol |
| LogP | 1.7734 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 317.18384 |
| Heavy Atoms | 22 |
| Complexity | 335.94183 |
Chemical Identifiers
| CAS Number | 129320-06-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) (CAS 129320-06-5), with molecular formula C15H27NO6 and molecular weight 317.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl heptanoate.
Chemical Property Profile of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
Property Insights of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
The XLogP value of 1.7734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1). The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 5 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 Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The CAS number of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 129320-06-5.
What is the molecular formula of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The molecular formula of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is C15H27NO6.
What is the molecular weight of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
The molecular weight of Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 317.18 g/mol.
Where can I buy Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
You can request a quote for Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.