![4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde structure](/static/products/1443/144398-00-5.webp)
4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
TL;DR: 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde (CAS 144398-00-5) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3-hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
Also Known As: Obscurolide A2, NCI60_020223, 4-[[2-(3-hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde, 4-{[2-(3-Hydroxybut-1-en-1-yl)-5-oxooxolan-3-yl]amino}benzaldehyde, Benzaldehyde, 4-[[tetrahydro-2-(3-hydroxy-1-butenyl)-5-oxo-3-furanyl]amino]-
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 144398-00-5 |
|---|---|
| SMILES | CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O |
| InChIKey | RYJWSNUDETVRFF-UHFFFAOYSA-N |
Product Overview
4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde (CAS 144398-00-5), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: 4-[[2-(3-hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde.
Chemical Property Profile of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
Property Insights of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde. Following Lipinski's Rule of Five, 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde has 2 hydrogen bond donor(s) and 5 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-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde?
The CAS number of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde is 144398-00-5.
What is the molecular formula of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde?
The molecular formula of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde is C15H17NO4.
What is the molecular weight of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde?
The molecular weight of 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde is 275.12 g/mol.
Where can I buy 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde?
You can request a quote for 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(3-Hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.