(4-Acetoxy-3-methoxyphenyl)methylene diacetate
TL;DR: (4-Acetoxy-3-methoxyphenyl)methylene diacetate (CAS 6962-74-9) is a chemical compound with molecular formula C14H16O7 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(diacetyloxymethyl)-2-methoxyphenyl] acetate
Also Known As: (4-acetoxy-3-methoxyphenyl)methylene diacetate, 3-Methoxy-4-acetoxybenzylidenediacetate, [4-(diacetyloxymethyl)-2-methoxyphenyl] acetate, 3-Methoxy-4-acetoxyphenylmethanediol diacetate, [4-(acetyloxy)-3-methoxyphenyl]methanediyl diacetate
| Molecular Formula | C14H16O7 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.0896 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 6962-74-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C(OC(=O)C)OC(=O)C)OC |
| InChIKey | BDCQMZQITMPUDM-UHFFFAOYSA-N |
Product Overview
(4-Acetoxy-3-methoxyphenyl)methylene diacetate (CAS 6962-74-9), with molecular formula C14H16O7 and molecular weight 296.09 g/mol. IUPAC: [4-(diacetyloxymethyl)-2-methoxyphenyl] acetate.
Chemical Property Profile of (4-Acetoxy-3-methoxyphenyl)methylene diacetate
Property Insights of (4-Acetoxy-3-methoxyphenyl)methylene diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetoxy-3-methoxyphenyl)methylene diacetate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetoxy-3-methoxyphenyl)methylene diacetate. Following Lipinski's Rule of Five, (4-Acetoxy-3-methoxyphenyl)methylene diacetate 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 (4-Acetoxy-3-methoxyphenyl)methylene diacetate?
The CAS number of (4-Acetoxy-3-methoxyphenyl)methylene diacetate is 6962-74-9.
What is the molecular formula of (4-Acetoxy-3-methoxyphenyl)methylene diacetate?
The molecular formula of (4-Acetoxy-3-methoxyphenyl)methylene diacetate is C14H16O7.
What is the molecular weight of (4-Acetoxy-3-methoxyphenyl)methylene diacetate?
The molecular weight of (4-Acetoxy-3-methoxyphenyl)methylene diacetate is 296.09 g/mol.
Where can I buy (4-Acetoxy-3-methoxyphenyl)methylene diacetate?
You can request a quote for (4-Acetoxy-3-methoxyphenyl)methylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetoxy-3-methoxyphenyl)methylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetoxy-3-methoxyphenyl)methylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.