Benzilic acid, diisopropylaminomethyl ester, hydrochloride
TL;DR: Benzilic acid, diisopropylaminomethyl ester, hydrochloride (CAS 63991-45-7) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[di(propan-2-yl)amino]methyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: Benzilic acid, diisopropylaminomethyl ester, hydrochloride, [di(propan-2-yl)amino]methyl 2-hydroxy-2,2-diphenylacetate hydrochloride, [Di(propan-2-yl)amino]methyl hydroxydi(phenyl)acetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, [bis(1-methylethyl)amino]methyl ester, hydrochloride, RefChem:325758
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | 3.96 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 63991-45-7 |
|---|---|
| SMILES | CC(C)N(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)C.Cl |
| InChIKey | LKQDDAOEOHXUIL-UHFFFAOYSA-N |
Product Overview
Benzilic acid, diisopropylaminomethyl ester, hydrochloride (CAS 63991-45-7), with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol. IUPAC: [di(propan-2-yl)amino]methyl 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzilic acid, diisopropylaminomethyl ester, hydrochloride
Property Insights of Benzilic acid, diisopropylaminomethyl ester, hydrochloride
The XLogP value of 3.96 indicates that Benzilic acid, diisopropylaminomethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzilic acid, diisopropylaminomethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, diisopropylaminomethyl ester, hydrochloride has 2 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, diisopropylaminomethyl ester, hydrochloride?
The CAS number of Benzilic acid, diisopropylaminomethyl ester, hydrochloride is 63991-45-7.
What is the molecular formula of Benzilic acid, diisopropylaminomethyl ester, hydrochloride?
The molecular formula of Benzilic acid, diisopropylaminomethyl ester, hydrochloride is C21H28ClNO3.
What is the molecular weight of Benzilic acid, diisopropylaminomethyl ester, hydrochloride?
The molecular weight of Benzilic acid, diisopropylaminomethyl ester, hydrochloride is 377.18 g/mol.
Where can I buy Benzilic acid, diisopropylaminomethyl ester, hydrochloride?
You can request a quote for Benzilic acid, diisopropylaminomethyl 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, diisopropylaminomethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, diisopropylaminomethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.