1,4-Dimethyl-2,3,5-triacetoxybenzene
TL;DR: 1,4-Dimethyl-2,3,5-triacetoxybenzene (CAS 40853-36-9) is a chemical compound with molecular formula C14H16O6 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diacetyloxy-2,5-dimethylphenyl) acetate
Also Known As: SUMRGNMUYSMSIM-UHFFFAOYSA-, 1,4-DIMETHYL-2,3,5-TRIACETOXYBENZENE, 1,3,4-Triacetoxy-2,5-dimethylbenzene, (3,4-diacetyloxy-2,5-dimethylphenyl) acetate, 3,6-Dimethylbenzene-1,2,4-triyl triacetate
| Molecular Formula | C14H16O6 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.0947 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 40853-36-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1OC(=O)C)OC(=O)C)C)OC(=O)C |
| InChIKey | SUMRGNMUYSMSIM-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl-2,3,5-triacetoxybenzene (CAS 40853-36-9), with molecular formula C14H16O6 and molecular weight 280.09 g/mol. IUPAC: (3,4-diacetyloxy-2,5-dimethylphenyl) acetate.
Chemical Property Profile of 1,4-Dimethyl-2,3,5-triacetoxybenzene
Property Insights of 1,4-Dimethyl-2,3,5-triacetoxybenzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-2,3,5-triacetoxybenzene. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-2,3,5-triacetoxybenzene. Following Lipinski's Rule of Five, 1,4-Dimethyl-2,3,5-triacetoxybenzene has 0 hydrogen bond donor(s) and 6 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 1,4-Dimethyl-2,3,5-triacetoxybenzene?
The CAS number of 1,4-Dimethyl-2,3,5-triacetoxybenzene is 40853-36-9.
What is the molecular formula of 1,4-Dimethyl-2,3,5-triacetoxybenzene?
The molecular formula of 1,4-Dimethyl-2,3,5-triacetoxybenzene is C14H16O6.
What is the molecular weight of 1,4-Dimethyl-2,3,5-triacetoxybenzene?
The molecular weight of 1,4-Dimethyl-2,3,5-triacetoxybenzene is 280.09 g/mol.
Where can I buy 1,4-Dimethyl-2,3,5-triacetoxybenzene?
You can request a quote for 1,4-Dimethyl-2,3,5-triacetoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-2,3,5-triacetoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-2,3,5-triacetoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.