![[3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate structure](/static/products/6234/62346-98-9.webp)
[3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate
TL;DR: [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate (CAS 62346-98-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-4-methylphenyl]methyl acetate
Also Known As: [3-(acetyloxymethyl)-4-methylphenyl]methyl acetate|(4-Methyl-1,3-phenylene)bis(methylene) diacetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 62346-98-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)COC(=O)C)COC(=O)C |
| InChIKey | KEOAZMHPOAPILU-UHFFFAOYSA-N |
Product Overview
[3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate (CAS 62346-98-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: [3-(acetyloxymethyl)-4-methylphenyl]methyl acetate.
Chemical Property Profile of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate
Property Insights of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate has 0 hydrogen bond donor(s) and 4 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-(Acetyloxymethyl)-4-methylphenyl]methyl acetate?
The CAS number of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate is 62346-98-9.
What is the molecular formula of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate?
The molecular formula of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate is C13H16O4.
What is the molecular weight of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate?
The molecular weight of [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate is 236.10 g/mol.
Where can I buy [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate?
You can request a quote for [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(Acetyloxymethyl)-4-methylphenyl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.