Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 29620-39-1) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-methyl-2-phenylpentanoate;hydrochloride
Also Known As: C 1997, 2-(Diethylamino)ethyl alpha-phenyl-beta-methylvalerate hydrochloride, 2-(Diethylamino)ethyl 2-phenyl-3-methylpentanoate hydrochloride, 2-(Diethylamino)ethyl 2-phenyl-3-methylvalerate hydrochloride, 2- ethylalpha-phenyl-beta-methylvaleratehydrochloride
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 4.1231 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 29620-39-1 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OCCN(CC)CC.Cl |
| InChIKey | WOZHHTPRCILNSK-UHFFFAOYSA-N |
Product Overview
Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 29620-39-1), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: 2-(diethylamino)ethyl 3-methyl-2-phenylpentanoate;hydrochloride.
Chemical Property Profile of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of 4.1231 indicates that Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride has 1 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 Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 29620-39-1.
What is the molecular formula of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is C18H30ClNO2.
What is the molecular weight of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 327.20 g/mol.
Where can I buy Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl 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, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.