4-Carboxy-alpha-methylbenzeneacetic acid
TL;DR: 4-Carboxy-alpha-methylbenzeneacetic acid (CAS 145679-19-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-carboxyethyl)benzoic acid
Also Known As: 4-(1-carboxyethyl)benzoic acid, 4- benozicacid, Loxoprofen Impurity 4, Ibuprofen Impurity 52, 4-Carboxy-alpha-methylbenzeneacetic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 145679-19-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(=O)O)C(=O)O |
| InChIKey | ZHJJCJKDNFTHKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Carboxy-alpha-methylbenzeneacetic acid (CAS 145679-19-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4-(1-carboxyethyl)benzoic acid.
Chemical Property Profile of 4-Carboxy-alpha-methylbenzeneacetic acid
Property Insights of 4-Carboxy-alpha-methylbenzeneacetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxy-alpha-methylbenzeneacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-alpha-methylbenzeneacetic acid. Following Lipinski's Rule of Five, 4-Carboxy-alpha-methylbenzeneacetic acid has 2 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 4-Carboxy-alpha-methylbenzeneacetic acid?
The CAS number of 4-Carboxy-alpha-methylbenzeneacetic acid is 145679-19-2.
What is the molecular formula of 4-Carboxy-alpha-methylbenzeneacetic acid?
The molecular formula of 4-Carboxy-alpha-methylbenzeneacetic acid is C10H10O4.
What is the molecular weight of 4-Carboxy-alpha-methylbenzeneacetic acid?
The molecular weight of 4-Carboxy-alpha-methylbenzeneacetic acid is 194.06 g/mol.
Where can I buy 4-Carboxy-alpha-methylbenzeneacetic acid?
You can request a quote for 4-Carboxy-alpha-methylbenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-alpha-methylbenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-alpha-methylbenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.