Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
TL;DR: Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride (CAS 69226-66-0) is a chemical compound with molecular formula C14H28ClNO3 and molecular weight 293.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylamino)-2,2-dimethylpropyl] 4-oxopentanoate;hydrochloride
Also Known As: Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride, Laevulinsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid [German], 4-Oxovaleric acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride, Pentanoic acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride, Laevulinsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid
| Molecular Formula | C14H28ClNO3 |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 2.6886 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 293.17578 |
| Heavy Atoms | 19 |
| Complexity | 275.86465 |
Chemical Identifiers
| CAS Number | 69226-66-0 |
|---|---|
| SMILES | CCN(CC)CC(C)(C)COC(=O)CCC(=O)C.Cl |
Product Overview
Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride (CAS 69226-66-0), with molecular formula C14H28ClNO3 and molecular weight 293.18 g/mol. IUPAC: [3-(diethylamino)-2,2-dimethylpropyl] 4-oxopentanoate;hydrochloride.
Chemical Property Profile of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
Property Insights of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
The XLogP value of 2.6886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride. With a topological polar surface area (TPSA) of 46.61 Ų, Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride has 0 hydrogen bond donor(s) and 4 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-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The CAS number of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is 69226-66-0.
What is the molecular formula of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The molecular formula of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is C14H28ClNO3.
What is the molecular weight of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The molecular weight of Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is 293.18 g/mol.
Where can I buy Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
You can request a quote for Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride 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-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 4-oxo-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.