5-Formylbenzene-1,2,3-triyl triacetate
TL;DR: 5-Formylbenzene-1,2,3-triyl triacetate (CAS 71932-18-8) is a chemical compound with molecular formula C13H12O7 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-diacetyloxy-5-formylphenyl) acetate
Also Known As: 5-formylbenzene-1,2,3-triyl triacetate, Triacetyl-gallaldehyd, 3,4,5-TRIACETOXYBENZALDEHYDE, (2,3-diacetyloxy-5-formylphenyl) acetate, 5-Formylbenzene-1,2,3-triyltriacetate
| Molecular Formula | C13H12O7 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.0583 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 71932-18-8 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C=O |
| InChIKey | MLPOXDZQEHKDMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Formylbenzene-1,2,3-triyl triacetate (CAS 71932-18-8), with molecular formula C13H12O7 and molecular weight 280.06 g/mol. IUPAC: (2,3-diacetyloxy-5-formylphenyl) acetate.
Chemical Property Profile of 5-Formylbenzene-1,2,3-triyl triacetate
Property Insights of 5-Formylbenzene-1,2,3-triyl triacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formylbenzene-1,2,3-triyl triacetate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formylbenzene-1,2,3-triyl triacetate. Following Lipinski's Rule of Five, 5-Formylbenzene-1,2,3-triyl triacetate 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 5-Formylbenzene-1,2,3-triyl triacetate?
The CAS number of 5-Formylbenzene-1,2,3-triyl triacetate is 71932-18-8.
What is the molecular formula of 5-Formylbenzene-1,2,3-triyl triacetate?
The molecular formula of 5-Formylbenzene-1,2,3-triyl triacetate is C13H12O7.
What is the molecular weight of 5-Formylbenzene-1,2,3-triyl triacetate?
The molecular weight of 5-Formylbenzene-1,2,3-triyl triacetate is 280.06 g/mol.
Where can I buy 5-Formylbenzene-1,2,3-triyl triacetate?
You can request a quote for 5-Formylbenzene-1,2,3-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formylbenzene-1,2,3-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Formylbenzene-1,2,3-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.