松柏醛
TL;DR: 松柏醛 (CAS 458-36-6) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
松柏醛
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Also Known As: Coniferaldehyde, Ferulaldehyde, Coniferyl aldehyde, trans-Ferulaldehyde, 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 458-36-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC=O)O |
| InChIKey | DKZBBWMURDFHNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
松柏醛 (CAS 458-36-6), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal.
Chemical Property Profile of 松柏醛
Property Insights of 松柏醛
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 松柏醛. With a topological polar surface area (TPSA) of 46.5 Ų, 松柏醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 松柏醛 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 松柏醛?
The CAS number of 松柏醛 is 458-36-6.
What is the molecular formula of 松柏醛?
The molecular formula of 松柏醛 is C10H10O3.
What is the molecular weight of 松柏醛?
The molecular weight of 松柏醛 is 178.06 g/mol.
Where can I buy 松柏醛?
You can request a quote for 松柏醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 松柏醛?
Yes, KEHONG BIO provides custom synthesis services for 松柏醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.