Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester
TL;DR: Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester (CAS 77944-92-4) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dimethylamino)-2-methyl-4-phenylbutan-2-yl] N-phenylcarbamate
Also Known As: alpha-Methyl-alpha-dimethylaminomethyl-phenylpropyl carbanilate, 3-13-00-01815 (Beilstein Handbook Reference), 1-(Dimethylamino)methyl-1-methyl-3-phenylpropyl carbanilate, CARBANILIC ACID, 1-(DIMETHYLAMINOMETHYL)-1-METHYL-3-PHENYLPROPYL ESTER, [1-(dimethylamino)-2-methyl-4-phenylbutan-2-yl] N-phenylcarbamate
| Molecular Formula | C20H26N2O2 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.19943 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 77944-92-4 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)(CN(C)C)OC(=O)NC2=CC=CC=C2 |
| InChIKey | JHGJKUINNINEFK-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester (CAS 77944-92-4), with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol. IUPAC: [1-(dimethylamino)-2-methyl-4-phenylbutan-2-yl] N-phenylcarbamate.
Chemical Property Profile of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester
Property Insights of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester
The XLogP value of 4.1 indicates that Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester 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 Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester?
The CAS number of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester is 77944-92-4.
What is the molecular formula of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester?
The molecular formula of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester is C20H26N2O2.
What is the molecular weight of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester?
The molecular weight of Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester is 326.20 g/mol.
Where can I buy Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester?
You can request a quote for Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.