咖啡醛
TL;DR: 咖啡醛 (CAS 68149-78-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡醛
3-(3,4-dihydroxyphenyl)prop-2-enal
Also Known As: Caffeic aldehyde, 3,4-Dihydroxycinnamaldehyde, 3-(3,4-dihydroxyphenyl)prop-2-enal, 3-(3,4-dihydroxy-phenyl)-2-propenal, 2-Propenal, 3-(3,4-dihydroxyphenyl)-
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 68149-78-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC=O)O)O |
| InChIKey | AXMVYSVVTMKQSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
咖啡醛 (CAS 68149-78-0), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)prop-2-enal.
Chemical Property Profile of 咖啡醛
Property Insights of 咖啡醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 咖啡醛. With a topological polar surface area (TPSA) of 57.5 Ų, 咖啡醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 咖啡醛 has 2 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 咖啡醛?
The CAS number of 咖啡醛 is 68149-78-0.
What is the molecular formula of 咖啡醛?
The molecular formula of 咖啡醛 is C9H8O3.
What is the molecular weight of 咖啡醛?
The molecular weight of 咖啡醛 is 164.05 g/mol.
Where can I buy 咖啡醛?
You can request a quote for 咖啡醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡醛?
Yes, KEHONG BIO provides custom synthesis services for 咖啡醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.