2-乙酰基-4-甲基苯甲酸
TL;DR: 2-乙酰基-4-甲基苯甲酸 (CAS 15482-54-9) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-4-甲基苯甲酸
2-acetyl-4-methylbenzoic acid
Also Known As: 2-acetyl-4-methylbenzoic acid, 2-ACETYL-P-TOLUIC ACID, 2-acetyl-4-methylbenzoicacid
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 15482-54-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)C |
| InChIKey | OFSIURTYYPSEJK-UHFFFAOYSA-N |
Product Overview
2-乙酰基-4-甲基苯甲酸 (CAS 15482-54-9), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 2-acetyl-4-methylbenzoic acid.
Chemical Property Profile of 2-乙酰基-4-甲基苯甲酸
Property Insights of 2-乙酰基-4-甲基苯甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基-4-甲基苯甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 2-乙酰基-4-甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基-4-甲基苯甲酸 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 2-乙酰基-4-甲基苯甲酸?
The CAS number of 2-乙酰基-4-甲基苯甲酸 is 15482-54-9.
What is the molecular formula of 2-乙酰基-4-甲基苯甲酸?
The molecular formula of 2-乙酰基-4-甲基苯甲酸 is C10H10O3.
What is the molecular weight of 2-乙酰基-4-甲基苯甲酸?
The molecular weight of 2-乙酰基-4-甲基苯甲酸 is 178.06 g/mol.
Where can I buy 2-乙酰基-4-甲基苯甲酸?
You can request a quote for 2-乙酰基-4-甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-4-甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-4-甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.