5-Methoxybenzene-1,2,4-triyl triacetate
TL;DR: 5-Methoxybenzene-1,2,4-triyl triacetate (CAS 387-82-6) is a chemical compound with molecular formula C13H14O7 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-diacetyloxy-2-methoxyphenyl) acetate
Also Known As: 5-methoxybenzene-1,2,4-triyl triacetate, 1,2,4-Triacetoxy-5-methoxybenzene, (4,5-diacetyloxy-2-methoxyphenyl) acetate, 5-Methoxy-1,2,4-benzenetriol triacetate, (2,4-diacetyloxy-5-methoxyphenyl) acetate
| Molecular Formula | C13H14O7 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.07394 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 387-82-6 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1OC)OC(=O)C)OC(=O)C |
| InChIKey | VMLCUXPGYHBUFM-UHFFFAOYSA-N |
Product Overview
5-Methoxybenzene-1,2,4-triyl triacetate (CAS 387-82-6), with molecular formula C13H14O7 and molecular weight 282.07 g/mol. IUPAC: (4,5-diacetyloxy-2-methoxyphenyl) acetate.
Chemical Property Profile of 5-Methoxybenzene-1,2,4-triyl triacetate
Property Insights of 5-Methoxybenzene-1,2,4-triyl triacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxybenzene-1,2,4-triyl triacetate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxybenzene-1,2,4-triyl triacetate. Following Lipinski's Rule of Five, 5-Methoxybenzene-1,2,4-triyl triacetate has 0 hydrogen bond donor(s) and 7 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 5-Methoxybenzene-1,2,4-triyl triacetate?
The CAS number of 5-Methoxybenzene-1,2,4-triyl triacetate is 387-82-6.
What is the molecular formula of 5-Methoxybenzene-1,2,4-triyl triacetate?
The molecular formula of 5-Methoxybenzene-1,2,4-triyl triacetate is C13H14O7.
What is the molecular weight of 5-Methoxybenzene-1,2,4-triyl triacetate?
The molecular weight of 5-Methoxybenzene-1,2,4-triyl triacetate is 282.07 g/mol.
Where can I buy 5-Methoxybenzene-1,2,4-triyl triacetate?
You can request a quote for 5-Methoxybenzene-1,2,4-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxybenzene-1,2,4-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxybenzene-1,2,4-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.