3-Acetyl-6-methoxy-1,2-phenylene diacetate
TL;DR: 3-Acetyl-6-methoxy-1,2-phenylene diacetate (CAS 7595-82-6) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-acetyl-2-acetyloxy-3-methoxyphenyl) acetate
Also Known As: 3-Acetyl-6-methoxy-1,2-phenylene diacetate, 3-Acetyl-6-methoxy-o-phenylene diacetate, (6-acetyl-2-acetyloxy-3-methoxyphenyl) acetate, J1.416.179A, Diacetic acid 3-acetyl-6-methoxy-o-phenylene ester
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 7595-82-6 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C=C1)OC)OC(=O)C)OC(=O)C |
| InChIKey | GOYBUMLAFMDMCA-UHFFFAOYSA-N |
Product Overview
3-Acetyl-6-methoxy-1,2-phenylene diacetate (CAS 7595-82-6), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: (6-acetyl-2-acetyloxy-3-methoxyphenyl) acetate.
Chemical Property Profile of 3-Acetyl-6-methoxy-1,2-phenylene diacetate
Property Insights of 3-Acetyl-6-methoxy-1,2-phenylene diacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-methoxy-1,2-phenylene diacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-6-methoxy-1,2-phenylene diacetate. Following Lipinski's Rule of Five, 3-Acetyl-6-methoxy-1,2-phenylene diacetate 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 3-Acetyl-6-methoxy-1,2-phenylene diacetate?
The CAS number of 3-Acetyl-6-methoxy-1,2-phenylene diacetate is 7595-82-6.
What is the molecular formula of 3-Acetyl-6-methoxy-1,2-phenylene diacetate?
The molecular formula of 3-Acetyl-6-methoxy-1,2-phenylene diacetate is C13H14O6.
What is the molecular weight of 3-Acetyl-6-methoxy-1,2-phenylene diacetate?
The molecular weight of 3-Acetyl-6-methoxy-1,2-phenylene diacetate is 266.08 g/mol.
Where can I buy 3-Acetyl-6-methoxy-1,2-phenylene diacetate?
You can request a quote for 3-Acetyl-6-methoxy-1,2-phenylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-6-methoxy-1,2-phenylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6-methoxy-1,2-phenylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.