3-羟基丁醛
TL;DR: 3-羟基丁醛 (CAS 107-89-1) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基丁醛
3-hydroxybutanal
Also Known As: Aldol, 3-Hydroxybutanal, Oxybutanal, 3-Hydroxybutyraldehyde, Butanal, 3-hydroxy-
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
| Boiling Point | Decomposes at about 83 °C |
| Density | 1.103 g/cu cm at 20 °C |
| Solubility | Miscible with water /1.00X10+6 mg/L/ |
| Flash Point | 65.6 °C (NFPA, 2010) |
| Vapor Pressure | 21.0 [mmHg] |
| Refractive Index | 1.4238 at 20 °C |
Chemical Identifiers
| CAS Number | 107-89-1 |
|---|---|
| SMILES | CC(CC=O)O |
| InChIKey | HSJKGGMUJITCBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基丁醛 (CAS 107-89-1), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: 3-hydroxybutanal.
Chemical Property Profile of 3-羟基丁醛
Property Insights of 3-羟基丁醛
The XLogP value of -0.6 indicates that 3-羟基丁醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 3-羟基丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丁醛 has 1 hydrogen bond donor(s) and 2 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 3-羟基丁醛?
The CAS number of 3-羟基丁醛 is 107-89-1.
What is the molecular formula of 3-羟基丁醛?
The molecular formula of 3-羟基丁醛 is C4H8O2.
What is the molecular weight of 3-羟基丁醛?
The molecular weight of 3-羟基丁醛 is 88.05 g/mol.
Where can I buy 3-羟基丁醛?
You can request a quote for 3-羟基丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丁醛?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.