4-甲基苯甲酰甲酸
TL;DR: 4-甲基苯甲酰甲酸 (CAS 7163-50-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苯甲酰甲酸
2-(4-methylphenyl)-2-oxoacetic acid
Also Known As: (4-Methylphenyl)(oxo)acetic acid, 4-Methylbenzoylformic acid, 2-(4-methylphenyl)-2-oxoacetic acid, 2-Oxo-2-(p-tolyl)acetic acid, para-Methylbenzoylformic acid
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 7163-50-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(=O)O |
| InChIKey | UIIIPQVTXBPHTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苯甲酰甲酸 (CAS 7163-50-0), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 2-(4-methylphenyl)-2-oxoacetic acid.
Chemical Property Profile of 4-甲基苯甲酰甲酸
Property Insights of 4-甲基苯甲酰甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基苯甲酰甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-甲基苯甲酰甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苯甲酰甲酸 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-甲基苯甲酰甲酸?
The CAS number of 4-甲基苯甲酰甲酸 is 7163-50-0.
What is the molecular formula of 4-甲基苯甲酰甲酸?
The molecular formula of 4-甲基苯甲酰甲酸 is C9H8O3.
What is the molecular weight of 4-甲基苯甲酰甲酸?
The molecular weight of 4-甲基苯甲酰甲酸 is 164.05 g/mol.
Where can I buy 4-甲基苯甲酰甲酸?
You can request a quote for 4-甲基苯甲酰甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苯甲酰甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苯甲酰甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.