4-diethylaminocinnamaldehyde
TL;DR: 4-diethylaminocinnamaldehyde (CAS 22412-68-6) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)benzamide
Also Known As: 4-diethylaminocinnamaldehyde, Methyl 3-benzamido-4,6-O-benzylidene-3-deoxyhexopyranoside, N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)benzamide, Glucopyranoside, methyl3-benzamido-4,6-O-benzylidene-3-deoxy-, a-D- (8CI)
| Molecular Formula | C21H23NO6 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.15253 |
| Heavy Atoms | 28 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 22412-68-6 |
|---|---|
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O |
| InChIKey | FHWASRNQCMZSTP-UHFFFAOYSA-N |
Product Overview
4-diethylaminocinnamaldehyde (CAS 22412-68-6), with molecular formula C21H23NO6 and molecular weight 385.15 g/mol. IUPAC: N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)benzamide.
Chemical Property Profile of 4-diethylaminocinnamaldehyde
Property Insights of 4-diethylaminocinnamaldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-diethylaminocinnamaldehyde. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-diethylaminocinnamaldehyde. Following Lipinski's Rule of Five, 4-diethylaminocinnamaldehyde has 2 hydrogen bond donor(s) and 6 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-diethylaminocinnamaldehyde?
The CAS number of 4-diethylaminocinnamaldehyde is 22412-68-6.
What is the molecular formula of 4-diethylaminocinnamaldehyde?
The molecular formula of 4-diethylaminocinnamaldehyde is C21H23NO6.
What is the molecular weight of 4-diethylaminocinnamaldehyde?
The molecular weight of 4-diethylaminocinnamaldehyde is 385.15 g/mol.
Where can I buy 4-diethylaminocinnamaldehyde?
You can request a quote for 4-diethylaminocinnamaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-diethylaminocinnamaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-diethylaminocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.