alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride
TL;DR: alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride (CAS 78372-09-5) is a chemical compound with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-hydroxy-3-methyl-2-phenylpentanoate;hydrochloride
Also Known As: 2-(Diethylamino)ethyl alpha-hydroxy-alpha-phenyl-beta-methylvalerate hydrochloride, 2-(Diethylamino)ethyl 2-hydroxy-2-phenyl-3-methylvalerate hydrochloride, alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(Diethylamino)ethyl 2-hydroxy-2-phenyl-3-methylpentanoate hydrochloride, Benzeneacetic acid, alpha-hydroxy-alpha-(1-methylpropyl)-, 2-(diethylamino)ethyl ester, HCl
| Molecular Formula | C18H30ClNO3 |
|---|---|
| Molecular Weight | 343.19 g/mol |
| LogP | 3.2271 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.1914 |
| Heavy Atoms | 23 |
| Complexity | 450.83972 |
Chemical Identifiers
| CAS Number | 78372-09-5 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)(C(=O)OCCN(CC)CC)O.Cl |
Product Overview
alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride (CAS 78372-09-5), with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2-hydroxy-3-methyl-2-phenylpentanoate;hydrochloride.
Chemical Property Profile of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride
Property Insights of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride
The XLogP value of 3.2271 indicates that alpha-sec-Butylmandelic acid 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 49.77 Ų, alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride has 1 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 alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride?
The CAS number of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride is 78372-09-5.
What is the molecular formula of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride?
The molecular formula of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride is C18H30ClNO3.
What is the molecular weight of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride?
The molecular weight of alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride is 343.19 g/mol.
Where can I buy alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride?
You can request a quote for alpha-sec-Butylmandelic acid 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 alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-sec-Butylmandelic acid 2-(diethylamino)ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.