2,5-Diacetoxytoluene
TL;DR: 2,5-Diacetoxytoluene (CAS 717-27-1) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-3-methylphenyl) acetate
Also Known As: 2,5-Diacetoxytoluene, Methylhydroquinone Diacetate, (4-acetyloxy-3-methylphenyl) acetate, 1,4-Diacetoxy-2-methylbenzene, 2-methylhydroquinone diacetate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.84562 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 395.57443 |
Chemical Identifiers
| CAS Number | 717-27-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)C)OC(=O)C |
Product Overview
2,5-Diacetoxytoluene (CAS 717-27-1), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: (4-acetyloxy-3-methylphenyl) acetate.
Chemical Property Profile of 2,5-Diacetoxytoluene
Property Insights of 2,5-Diacetoxytoluene
The XLogP value of 1.84562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diacetoxytoluene. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Diacetoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diacetoxytoluene 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 2,5-Diacetoxytoluene?
The CAS number of 2,5-Diacetoxytoluene is 717-27-1.
What is the molecular formula of 2,5-Diacetoxytoluene?
The molecular formula of 2,5-Diacetoxytoluene is C11H12O4.
What is the molecular weight of 2,5-Diacetoxytoluene?
The molecular weight of 2,5-Diacetoxytoluene is 208.07 g/mol.
Where can I buy 2,5-Diacetoxytoluene?
You can request a quote for 2,5-Diacetoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diacetoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diacetoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.