3,4-二甲氧基苯乙醛
TL;DR: 3,4-二甲氧基苯乙醛 (CAS 5703-21-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲氧基苯乙醛
2-(3,4-dimethoxyphenyl)acetaldehyde
Also Known As: 2-(3,4-dimethoxyphenyl)acetaldehyde, (3,4-Dimethoxyphenyl)acetaldehyde, 3,4-dimethoxybenzeneacetaldehyde, acetaldehyde, Homoveratric aldehyde
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 5703-21-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC=O)OC |
| InChIKey | RIVVYJWUHXMGSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲氧基苯乙醛 (CAS 5703-21-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)acetaldehyde.
Chemical Property Profile of 3,4-二甲氧基苯乙醛
Property Insights of 3,4-二甲氧基苯乙醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲氧基苯乙醛. With a topological polar surface area (TPSA) of 35.5 Ų, 3,4-二甲氧基苯乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲氧基苯乙醛 has 0 hydrogen bond donor(s) and 3 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 3,4-二甲氧基苯乙醛?
The CAS number of 3,4-二甲氧基苯乙醛 is 5703-21-9.
What is the molecular formula of 3,4-二甲氧基苯乙醛?
The molecular formula of 3,4-二甲氧基苯乙醛 is C10H12O3.
What is the molecular weight of 3,4-二甲氧基苯乙醛?
The molecular weight of 3,4-二甲氧基苯乙醛 is 180.08 g/mol.
Where can I buy 3,4-二甲氧基苯乙醛?
You can request a quote for 3,4-二甲氧基苯乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲氧基苯乙醛?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲氧基苯乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.