3-(Acetoxymethyl)-4-hydroxyphenyl benzoate
TL;DR: 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate (CAS 332131-27-8) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-4-hydroxyphenyl] benzoate
Also Known As: 3-(acetoxymethyl)-4-hydroxyphenyl benzoate, [3-(acetyloxymethyl)-4-hydroxyphenyl] benzoate, 3-[(acetyloxy)methyl]-4-hydroxyphenyl benzoate
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.6745 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 648.97186 |
Chemical Identifiers
| CAS Number | 332131-27-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)O |
Product Overview
3-(Acetoxymethyl)-4-hydroxyphenyl benzoate (CAS 332131-27-8), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: [3-(acetyloxymethyl)-4-hydroxyphenyl] benzoate.
Chemical Property Profile of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate
Property Insights of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate
The XLogP value of 2.6745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate. Following Lipinski's Rule of Five, 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate has 1 hydrogen bond donor(s) and 5 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 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate?
The CAS number of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate is 332131-27-8.
What is the molecular formula of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate?
The molecular formula of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate is C16H14O5.
What is the molecular weight of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate?
The molecular weight of 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate is 286.08 g/mol.
Where can I buy 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate?
You can request a quote for 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetoxymethyl)-4-hydroxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.