2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid
TL;DR: 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid (CAS 6306-63-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(dimethylamino)-2-methylpropanoyl]benzoic acid
Also Known As: NCI60_001870, 2-(3-(dimethylamino)-2-methylpropanoyl)benzoic acid, 2-[3-(dimethylamino)-2-methyl-propanoyl]benzoic acid, 2-[3-(dimethylamino)-2-methylpropanoyl]benzoic acid, 1-(2-carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-one, hydrochloride salt
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 6306-63-4 |
|---|---|
| SMILES | CC(CN(C)C)C(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | LFJBYLRACCLXHW-UHFFFAOYSA-N |
Product Overview
2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid (CAS 6306-63-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 2-[3-(dimethylamino)-2-methylpropanoyl]benzoic acid.
Chemical Property Profile of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid
Property Insights of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid
The XLogP value of -0.9 indicates that 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid 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 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid?
The CAS number of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid is 6306-63-4.
What is the molecular formula of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid?
The molecular formula of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid is C13H17NO3.
What is the molecular weight of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid?
The molecular weight of 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid is 235.12 g/mol.
Where can I buy 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid?
You can request a quote for 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Dimethylamino)-2-methylpropanoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.