4-(4-Methylbenzoyl)-1-indancarboxylic acid
TL;DR: 4-(4-Methylbenzoyl)-1-indancarboxylic acid (CAS 6345-77-3) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylbenzoyl)-2,3-dihydro-1H-indene-1-carboxylic acid
Also Known As: 4-(4-Methylbenzoyl)-1-indancarboxylic acid, 4-Toluoyl-1-indancarbonsaeure, TAI 908, 4-(p-Toluoyl)-1-indancarboxylic acid, 1-Indancarboxylic acid, 4-(p-toluoyl)-
| Molecular Formula | C18H16O3 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.10995 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 6345-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC3=C2CCC3C(=O)O |
| InChIKey | WZAJBIXBRFTJRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Methylbenzoyl)-1-indancarboxylic acid (CAS 6345-77-3), with molecular formula C18H16O3 and molecular weight 280.11 g/mol. IUPAC: 4-(4-methylbenzoyl)-2,3-dihydro-1H-indene-1-carboxylic acid.
Chemical Property Profile of 4-(4-Methylbenzoyl)-1-indancarboxylic acid
Property Insights of 4-(4-Methylbenzoyl)-1-indancarboxylic acid
The XLogP value of 3.5 indicates that 4-(4-Methylbenzoyl)-1-indancarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(4-Methylbenzoyl)-1-indancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylbenzoyl)-1-indancarboxylic acid 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 4-(4-Methylbenzoyl)-1-indancarboxylic acid?
The CAS number of 4-(4-Methylbenzoyl)-1-indancarboxylic acid is 6345-77-3.
What is the molecular formula of 4-(4-Methylbenzoyl)-1-indancarboxylic acid?
The molecular formula of 4-(4-Methylbenzoyl)-1-indancarboxylic acid is C18H16O3.
What is the molecular weight of 4-(4-Methylbenzoyl)-1-indancarboxylic acid?
The molecular weight of 4-(4-Methylbenzoyl)-1-indancarboxylic acid is 280.11 g/mol.
Where can I buy 4-(4-Methylbenzoyl)-1-indancarboxylic acid?
You can request a quote for 4-(4-Methylbenzoyl)-1-indancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylbenzoyl)-1-indancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylbenzoyl)-1-indancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.