Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester
TL;DR: Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester (CAS 55000-33-4) 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.
methyl 2-acetyloxy-2-(4-acetyloxyphenyl)acetate
Also Known As: methyl(acetyloxy)[4-(acetyloxy)phenyl]acetate, Methyl (acetyloxy)[4-(acetyloxy)phenyl]acetate, alpha,4-Bis(acetyloxy)benzeneacetic acid methyl ester, methyl 2-acetyloxy-2-(4-acetyloxyphenyl)acetate, Methyl (acetyloxy)[4-(acetyloxy)phenyl]acetate #
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 55000-33-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C(=O)OC)OC(=O)C |
| InChIKey | KCGMUYMZNHWTBJ-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester (CAS 55000-33-4), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: methyl 2-acetyloxy-2-(4-acetyloxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester
Property Insights of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester 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 Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester?
The CAS number of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester is 55000-33-4.
What is the molecular formula of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester is C13H14O6.
What is the molecular weight of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester is 266.08 g/mol.
Where can I buy Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha,4-bis(acetyloxy)-, 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,4-bis(acetyloxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,4-bis(acetyloxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.