Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester
TL;DR: Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester (CAS 54833-63-5) 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.
methyl 2-acetyloxy-2-(3-acetyloxy-5-methoxyphenyl)acetate
Also Known As: alpha,3-Bis(acetyloxy)-5-methoxybenzeneacetic acid methyl ester, Benzeneacetic acid, .alpha.,3-bis(acetyloxy)-5-methoxy-, methyl ester, Methyl (acetyloxy)[3-(acetyloxy)-5-methoxyphenyl]acetate, Methyl (acetyloxy)[3-(acetyloxy)-5-methoxyphenyl]acetate #, methyl 2-acetyloxy-2-(3-acetyloxy-5-methoxyphenyl)acetate
| Molecular Formula | C14H16O7 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 1.5 |
| 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 | 393.0 |
Chemical Identifiers
| CAS Number | 54833-63-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1)OC)C(C(=O)OC)OC(=O)C |
| InChIKey | TYGREUOEYYSMKU-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester (CAS 54833-63-5), with molecular formula C14H16O7 and molecular weight 296.09 g/mol. IUPAC: methyl 2-acetyloxy-2-(3-acetyloxy-5-methoxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester
Property Insights of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester 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 Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester?
The CAS number of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester is 54833-63-5.
What is the molecular formula of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester is C14H16O7.
What is the molecular weight of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester is 296.09 g/mol.
Where can I buy Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,3-bis(acetyloxy)-5-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.