3,4-Diacetoxy-5-methoxybenzaldehyde
TL;DR: 3,4-Diacetoxy-5-methoxybenzaldehyde (CAS 65841-02-3) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-5-formyl-3-methoxyphenyl) acetate
Also Known As: 3,4-Diacetoxy-5-methoxybenzaldehyde, Benzaldehyde, 3,4-bis(acetyloxy)-5-methoxy-, 2-(acetyloxy)-4-formyl-6-methoxyphenyl acetate, 2-(acetyloxy)-5-formyl-3-methoxyphenyl acetate, J1.547.215D
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.3583 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 491.58615 |
Chemical Identifiers
| CAS Number | 65841-02-3 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC)C=O |
Product Overview
3,4-Diacetoxy-5-methoxybenzaldehyde (CAS 65841-02-3), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: (2-acetyloxy-5-formyl-3-methoxyphenyl) acetate.
Chemical Property Profile of 3,4-Diacetoxy-5-methoxybenzaldehyde
Property Insights of 3,4-Diacetoxy-5-methoxybenzaldehyde
The XLogP value of 1.3583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diacetoxy-5-methoxybenzaldehyde. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diacetoxy-5-methoxybenzaldehyde. Following Lipinski's Rule of Five, 3,4-Diacetoxy-5-methoxybenzaldehyde 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 3,4-Diacetoxy-5-methoxybenzaldehyde?
The CAS number of 3,4-Diacetoxy-5-methoxybenzaldehyde is 65841-02-3.
What is the molecular formula of 3,4-Diacetoxy-5-methoxybenzaldehyde?
The molecular formula of 3,4-Diacetoxy-5-methoxybenzaldehyde is C12H12O6.
What is the molecular weight of 3,4-Diacetoxy-5-methoxybenzaldehyde?
The molecular weight of 3,4-Diacetoxy-5-methoxybenzaldehyde is 252.06 g/mol.
Where can I buy 3,4-Diacetoxy-5-methoxybenzaldehyde?
You can request a quote for 3,4-Diacetoxy-5-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diacetoxy-5-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diacetoxy-5-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.