Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate
TL;DR: Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate (CAS 58568-10-8) is a chemical compound with molecular formula C19H35NO9 and molecular weight 421.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4,4-dimethylpentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 4,4-Dimethylvaleric acid 2-(diethylamino)ethyl ester citrate, Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate, 4,4-Dimethylvaleriansaeure beta-diaethylaminoaethylester dihydrogencitrat [German], 4,4-Dimethylvaleriansaeure beta-diaethylaminoaethylester dihydrogencitrat, 2-diethylaminoethyl 4,4-dimethylpentanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C19H35NO9 |
|---|---|
| Molecular Weight | 421.23 g/mol |
| LogP | 1.4492 |
| Topological Polar Surface Area | 161.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 421.23117 |
| Heavy Atoms | 29 |
| Complexity | 520.28815 |
Chemical Identifiers
| CAS Number | 58568-10-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CCC(C)(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate (CAS 58568-10-8), with molecular formula C19H35NO9 and molecular weight 421.23 g/mol. IUPAC: 2-(diethylamino)ethyl 4,4-dimethylpentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate
Property Insights of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate
The XLogP value of 1.4492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate. The TPSA of 161.67 Ų indicates high polarity, suggesting Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate has 4 hydrogen bond donor(s) and 7 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 Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate?
The CAS number of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate is 58568-10-8.
What is the molecular formula of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate?
The molecular formula of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate is C19H35NO9.
What is the molecular weight of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate?
The molecular weight of Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate is 421.23 g/mol.
Where can I buy Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate?
You can request a quote for Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 4,4-dimethyl-, 2-(diethylamino)ethyl ester, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.