Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester
TL;DR: Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester (CAS 331269-94-4) is a chemical compound with molecular formula C24H26O7 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4-diacetyloxyphenyl)-2,2,4-trimethyl-3H-chromen-7-yl] acetate
Also Known As: BAS 00368464, BRD-A04977835-001-07-8, 4-(2,4-diacetyloxyphenyl)-2,2,4-trimethylchroman-7-yl acetate, 4-(7-acetoxy-2,2,4-trimethylchroman-4-yl)-1,3-phenylene diacetate, Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester
| Molecular Formula | C24H26O7 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.3296 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.16785 |
| Heavy Atoms | 31 |
| Complexity | 1053.8885 |
Chemical Identifiers
| CAS Number | 331269-94-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(CC(O2)(C)C)(C)C3=C(C=C(C=C3)OC(=O)C)OC(=O)C |
Product Overview
Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester (CAS 331269-94-4), with molecular formula C24H26O7 and molecular weight 426.17 g/mol. IUPAC: [4-(2,4-diacetyloxyphenyl)-2,2,4-trimethyl-3H-chromen-7-yl] acetate.
Chemical Property Profile of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester
Property Insights of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester
The XLogP value of 4.3296 indicates that Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester. Following Lipinski's Rule of Five, Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl 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 Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester?
The CAS number of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester is 331269-94-4.
What is the molecular formula of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester?
The molecular formula of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester is C24H26O7.
What is the molecular weight of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester?
The molecular weight of Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester is 426.17 g/mol.
Where can I buy Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester?
You can request a quote for Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 5-acetoxy-2-(7-acetoxy-2,2,4-trimethyl-chroman-4-yl)-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.