![4-[(Acetyloxy)methyl]benzoic acid structure](/static/products/119/119448-87-2.png)
4-[(Acetyloxy)methyl]benzoic acid
TL;DR: 4-[(Acetyloxy)methyl]benzoic acid (CAS 119448-87-2) 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-(acetyloxymethyl)benzoic acid
Also Known As: 4-(Acetoxymethyl)benzoic acid, 4-ACETOXYMETHYLBENZOIC ACID, null, 4-(acetyloxymethyl)benzoic Acid, 4-[(acetyloxy)methyl]benzoic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.4479 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 339.64456 |
Chemical Identifiers
| CAS Number | 119448-87-2 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(C=C1)C(=O)O |
Product Overview
4-[(Acetyloxy)methyl]benzoic acid (CAS 119448-87-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4-(acetyloxymethyl)benzoic acid.
Chemical Property Profile of 4-[(Acetyloxy)methyl]benzoic acid
Property Insights of 4-[(Acetyloxy)methyl]benzoic acid
The XLogP value of 1.4479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Acetyloxy)methyl]benzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Acetyloxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(Acetyloxy)methyl]benzoic 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-[(Acetyloxy)methyl]benzoic acid?
The CAS number of 4-[(Acetyloxy)methyl]benzoic acid is 119448-87-2.
What is the molecular formula of 4-[(Acetyloxy)methyl]benzoic acid?
The molecular formula of 4-[(Acetyloxy)methyl]benzoic acid is C10H10O4.
What is the molecular weight of 4-[(Acetyloxy)methyl]benzoic acid?
The molecular weight of 4-[(Acetyloxy)methyl]benzoic acid is 194.06 g/mol.
Where can I buy 4-[(Acetyloxy)methyl]benzoic acid?
You can request a quote for 4-[(Acetyloxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Acetyloxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Acetyloxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.