Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
TL;DR: Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride (CAS 67011-51-2) is a chemical compound with molecular formula C23H32ClNO3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylamino)-2,2-dimethylpropyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride, Benzilsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid [German], Benzilsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid, [3-(diethylamino)-2,2-dimethylpropyl] 2-hydroxy-2,2-diphenylacetate hydrochloride, 3-(Diethylamino)-2,2-dimethylpropyl hydroxydi(phenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C23H32ClNO3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 4.2555 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.20706 |
| Heavy Atoms | 28 |
| Complexity | 675.642 |
Chemical Identifiers
| CAS Number | 67011-51-2 |
|---|---|
| SMILES | CCN(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl |
Product Overview
Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride (CAS 67011-51-2), with molecular formula C23H32ClNO3 and molecular weight 405.21 g/mol. IUPAC: [3-(diethylamino)-2,2-dimethylpropyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
Property Insights of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
The XLogP value of 4.2555 indicates that Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl 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, Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl 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 Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The CAS number of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is 67011-51-2.
What is the molecular formula of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The molecular formula of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is C23H32ClNO3.
What is the molecular weight of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
The molecular weight of Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride is 405.21 g/mol.
Where can I buy Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
You can request a quote for Benzilic acid, 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 Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.