3,4-Diacetoxybenzaldehyde
TL;DR: 3,4-Diacetoxybenzaldehyde (CAS 67727-64-4) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-4-formylphenyl) acetate
Also Known As: 3,4-Diacetoxybenzaldehyde, 4-Formyl-1,2-phenylene diacetate, (2-acetyloxy-4-formylphenyl) acetate, ghl.PD_Mitscher_leg0.727, Benzaldehyde, 3,4-bis(acetyloxy)-
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.3497 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 436.0011 |
Chemical Identifiers
| CAS Number | 67727-64-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC(=O)C |
Product Overview
3,4-Diacetoxybenzaldehyde (CAS 67727-64-4), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: (2-acetyloxy-4-formylphenyl) acetate.
Chemical Property Profile of 3,4-Diacetoxybenzaldehyde
Property Insights of 3,4-Diacetoxybenzaldehyde
The XLogP value of 1.3497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diacetoxybenzaldehyde. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diacetoxybenzaldehyde. Following Lipinski's Rule of Five, 3,4-Diacetoxybenzaldehyde has 0 hydrogen bond donor(s) and 5 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 3,4-Diacetoxybenzaldehyde?
The CAS number of 3,4-Diacetoxybenzaldehyde is 67727-64-4.
What is the molecular formula of 3,4-Diacetoxybenzaldehyde?
The molecular formula of 3,4-Diacetoxybenzaldehyde is C11H10O5.
What is the molecular weight of 3,4-Diacetoxybenzaldehyde?
The molecular weight of 3,4-Diacetoxybenzaldehyde is 222.05 g/mol.
Where can I buy 3,4-Diacetoxybenzaldehyde?
You can request a quote for 3,4-Diacetoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diacetoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diacetoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.