4,4-Dihydroxybutyraldehyde
TL;DR: 4,4-Dihydroxybutyraldehyde (CAS 84000-90-8) is a chemical compound with molecular formula C4H8O3 and molecular weight 104.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dihydroxybutanal
Also Known As: 4,4-Dihydroxybutyraldehyde, 4,4-dihydroxybutanal, 4-dihydroxybutanal, Butanal, 4,4-dihydroxy-, EINECS 281-646-2
| Molecular Formula | C4H8O3 |
|---|---|
| Molecular Weight | 104.05 g/mol |
| LogP | -0.7238 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.04734 |
| Heavy Atoms | 7 |
| Complexity | 50.8966 |
Chemical Identifiers
| CAS Number | 84000-90-8 |
|---|---|
| SMILES | C(CC(O)O)C=O |
Product Overview
4,4-Dihydroxybutyraldehyde (CAS 84000-90-8), with molecular formula C4H8O3 and molecular weight 104.05 g/mol. IUPAC: 4,4-dihydroxybutanal.
Chemical Property Profile of 4,4-Dihydroxybutyraldehyde
Property Insights of 4,4-Dihydroxybutyraldehyde
The XLogP value of -0.7238 indicates that 4,4-Dihydroxybutyraldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.53 Ų, 4,4-Dihydroxybutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dihydroxybutyraldehyde has 2 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 4,4-Dihydroxybutyraldehyde?
The CAS number of 4,4-Dihydroxybutyraldehyde is 84000-90-8.
What is the molecular formula of 4,4-Dihydroxybutyraldehyde?
The molecular formula of 4,4-Dihydroxybutyraldehyde is C4H8O3.
What is the molecular weight of 4,4-Dihydroxybutyraldehyde?
The molecular weight of 4,4-Dihydroxybutyraldehyde is 104.05 g/mol.
Where can I buy 4,4-Dihydroxybutyraldehyde?
You can request a quote for 4,4-Dihydroxybutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dihydroxybutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dihydroxybutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.