2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid
TL;DR: 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid (CAS 52830-65-6) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid
Also Known As: 2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid, 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid, Benzoic acid, 2-[4-(diethylamino)-2-methylbenzoyl]-, Benzoic acd, 2-(4-(diethylamino)-2-methylbenzoyl)-, Benzoic acid, 2-(4-(diethylamino)-2-methylbenzoyl)-
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 52830-65-6 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | IZHHSJHVOYVIRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid (CAS 52830-65-6), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: 2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid.
Chemical Property Profile of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid
Property Insights of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid
The XLogP value of 4.0 indicates that 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Diethylamino)-2-methylbenzoyl)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-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid?
The CAS number of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid is 52830-65-6.
What is the molecular formula of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid?
The molecular formula of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid is C19H21NO3.
What is the molecular weight of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid?
The molecular weight of 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid is 311.15 g/mol.
Where can I buy 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid?
You can request a quote for 2-(4-(Diethylamino)-2-methylbenzoyl)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-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Diethylamino)-2-methylbenzoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.