Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester
TL;DR: Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester (CAS 68480-21-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(dimethylamino)benzoate
Also Known As: isobutyl 2-(dimethylamino)benzoate, 2-Methylpropyl 2-(dimethylamino)benzoate, 2-methylpropyl2- benzoate, Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester, 2-(Dimethylamino)benzoic acid 2-methylpropyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 68480-21-7 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1N(C)C |
| InChIKey | KWNYRTDLTSGITQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester (CAS 68480-21-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 2-methylpropyl 2-(dimethylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester
Property Insights of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester has 0 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 Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester?
The CAS number of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester is 68480-21-7.
What is the molecular formula of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester?
The molecular formula of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester is C13H19NO2.
What is the molecular weight of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester?
The molecular weight of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester is 221.14 g/mol.
Where can I buy Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester?
You can request a quote for Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.