4-乙氧基-3-羟基苯甲醛
TL;DR: 4-乙氧基-3-羟基苯甲醛 (CAS 2539-53-9) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙氧基-3-羟基苯甲醛
4-ethoxy-3-hydroxybenzaldehyde
Also Known As: 4-Ethoxy-3-hydroxybenzaldehyde, Isoethylvanillin, Ethylisovanilline, Benzaldehyde, 4-ethoxy-3-hydroxy-, 3-hydroxy-4-ethoxybenzaldehyde
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2539-53-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=O)O |
| InChIKey | BCLVKHGKEGFPJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙氧基-3-羟基苯甲醛 (CAS 2539-53-9), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 4-ethoxy-3-hydroxybenzaldehyde.
Chemical Property Profile of 4-乙氧基-3-羟基苯甲醛
Property Insights of 4-乙氧基-3-羟基苯甲醛
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙氧基-3-羟基苯甲醛. With a topological polar surface area (TPSA) of 46.5 Ų, 4-乙氧基-3-羟基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙氧基-3-羟基苯甲醛 has 1 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 4-乙氧基-3-羟基苯甲醛?
The CAS number of 4-乙氧基-3-羟基苯甲醛 is 2539-53-9.
What is the molecular formula of 4-乙氧基-3-羟基苯甲醛?
The molecular formula of 4-乙氧基-3-羟基苯甲醛 is C9H10O3.
What is the molecular weight of 4-乙氧基-3-羟基苯甲醛?
The molecular weight of 4-乙氧基-3-羟基苯甲醛 is 166.06 g/mol.
Where can I buy 4-乙氧基-3-羟基苯甲醛?
You can request a quote for 4-乙氧基-3-羟基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙氧基-3-羟基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-乙氧基-3-羟基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.