4-Hydroxy-4-pyridin-3-ylbutanal
TL;DR: 4-Hydroxy-4-pyridin-3-ylbutanal (CAS 94259-70-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-pyridin-3-ylbutanal
Also Known As: 4-hydroxy-4-pyridin-3-ylbutanal, 4-hydroxy-4-(pyridin-3-yl)butanal, Butanal, 4-hydroxy-4-pyridin-3-yl-, 4-hydroxy-4-pyridin-3-yl-butanal, 4-hydroxy-4-(3-pyridyl)-1-butanone
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 94259-70-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(CCC=O)O |
| InChIKey | JHQRLNGDYKGSKZ-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-pyridin-3-ylbutanal (CAS 94259-70-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-hydroxy-4-pyridin-3-ylbutanal.
Chemical Property Profile of 4-Hydroxy-4-pyridin-3-ylbutanal
Property Insights of 4-Hydroxy-4-pyridin-3-ylbutanal
The XLogP value of -0.2 indicates that 4-Hydroxy-4-pyridin-3-ylbutanal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.2 Ų, 4-Hydroxy-4-pyridin-3-ylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-pyridin-3-ylbutanal 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 4-Hydroxy-4-pyridin-3-ylbutanal?
The CAS number of 4-Hydroxy-4-pyridin-3-ylbutanal is 94259-70-8.
What is the molecular formula of 4-Hydroxy-4-pyridin-3-ylbutanal?
The molecular formula of 4-Hydroxy-4-pyridin-3-ylbutanal is C9H11NO2.
What is the molecular weight of 4-Hydroxy-4-pyridin-3-ylbutanal?
The molecular weight of 4-Hydroxy-4-pyridin-3-ylbutanal is 165.08 g/mol.
Where can I buy 4-Hydroxy-4-pyridin-3-ylbutanal?
You can request a quote for 4-Hydroxy-4-pyridin-3-ylbutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-pyridin-3-ylbutanal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-pyridin-3-ylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.