丁香醛
TL;DR: 丁香醛 (CAS 134-96-3) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香醛
4-hydroxy-3,5-dimethoxybenzaldehyde
Also Known As: SYRINGALDEHYDE, 4-Hydroxy-3,5-dimethoxybenzaldehyde, Syringic aldehyde, 3,5-Dimethoxy-4-hydroxybenzaldehyde, Syringylaldehyde
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| Solubility | Insoluble in water |
Chemical Identifiers
| CAS Number | 134-96-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=O |
| InChIKey | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁香醛 (CAS 134-96-3), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 4-hydroxy-3,5-dimethoxybenzaldehyde.
Chemical Property Profile of 丁香醛
Property Insights of 丁香醛
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁香醛. With a topological polar surface area (TPSA) of 55.8 Ų, 丁香醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁香醛 has 1 hydrogen bond donor(s) and 4 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 丁香醛?
The CAS number of 丁香醛 is 134-96-3.
What is the molecular formula of 丁香醛?
The molecular formula of 丁香醛 is C9H10O4.
What is the molecular weight of 丁香醛?
The molecular weight of 丁香醛 is 182.06 g/mol.
Where can I buy 丁香醛?
You can request a quote for 丁香醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香醛?
Yes, KEHONG BIO provides custom synthesis services for 丁香醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.