2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester
TL;DR: 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester (CAS 287118-98-3) 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-(hydroxymethyl)phenyl] 2-acetyloxybenzoate
Also Known As: 2-(ACETYLOXY)BENZOIC ACID 3-(HYDROXYMETHYL)PHENYL ESTER, NCX 4017, [3-(hydroxymethyl)phenyl] 2-acetyloxybenzoate, 3-(HYDROXYMETHYL)PHENYL 2-ACETOXYBENZOATE, 3-(HYDROXYMETHYL)PHENYL 2-(ACETYLOXY)BENZOATE
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.3234 |
| 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 | 663.22186 |
Chemical Identifiers
| CAS Number | 287118-98-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO |
Product Overview
2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester (CAS 287118-98-3), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: [3-(hydroxymethyl)phenyl] 2-acetyloxybenzoate.
Chemical Property Profile of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester
Property Insights of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester
The XLogP value of 2.3234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester. Following Lipinski's Rule of Five, 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester 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 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester?
The CAS number of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester is 287118-98-3.
What is the molecular formula of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester?
The molecular formula of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester is C16H14O5.
What is the molecular weight of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester?
The molecular weight of 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester is 286.08 g/mol.
Where can I buy 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester?
You can request a quote for 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)benzoic acid 3-(hydroxymethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.