Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride
TL;DR: Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride (CAS 69226-67-1) is a chemical compound with molecular formula C14H30ClNO2S and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-propylsulfanylpentanoate;hydrochloride
Also Known As: Dipropylthioacetate de O-diethylaminoethyle, Dipropylthioacetate de O-diethylaminoethyle [French], 2-Propylthiovaleric acid O-ester with 2-(diethylamino)ethanol hydrochloride, Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride, 2-diethylaminoethyl 2-propylsulfanylpentanoate hydrochloride
| Molecular Formula | C14H30ClNO2S |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 3.6051 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.16858 |
| Heavy Atoms | 19 |
| Complexity | 213.62265 |
Chemical Identifiers
| CAS Number | 69226-67-1 |
|---|---|
| SMILES | CCCC(C(=O)OCCN(CC)CC)SCCC.Cl |
Product Overview
Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride (CAS 69226-67-1), with molecular formula C14H30ClNO2S and molecular weight 311.17 g/mol. IUPAC: 2-(diethylamino)ethyl 2-propylsulfanylpentanoate;hydrochloride.
Chemical Property Profile of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride
Property Insights of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride
The XLogP value of 3.6051 indicates that Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, 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, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The CAS number of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride is 69226-67-1.
What is the molecular formula of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The molecular formula of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride is C14H30ClNO2S.
What is the molecular weight of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The molecular weight of Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride is 311.17 g/mol.
Where can I buy Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
You can request a quote for Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, 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, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.