3-Butoxy-2-oxobutyraldehyde
TL;DR: 3-Butoxy-2-oxobutyraldehyde (CAS 94291-55-1) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-2-oxobutanal
Also Known As: 3-Butoxy-2-oxobutyraldehyde, 3-butoxy-2-oxobutanal, EINECS 304-879-4, Butanal, 3-butoxy-2-oxo-, 3-Butoxy-2-oxobutyraldehyde, EINECS 304-879-4, CID3024274, 94291-55-1
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.9596 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 131.29886 |
Chemical Identifiers
| CAS Number | 94291-55-1 |
|---|---|
| SMILES | CCCCOC(C)C(=O)C=O |
Product Overview
3-Butoxy-2-oxobutyraldehyde (CAS 94291-55-1), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 3-butoxy-2-oxobutanal.
Chemical Property Profile of 3-Butoxy-2-oxobutyraldehyde
Property Insights of 3-Butoxy-2-oxobutyraldehyde
The XLogP value of 0.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butoxy-2-oxobutyraldehyde. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Butoxy-2-oxobutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butoxy-2-oxobutyraldehyde has 0 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 3-Butoxy-2-oxobutyraldehyde?
The CAS number of 3-Butoxy-2-oxobutyraldehyde is 94291-55-1.
What is the molecular formula of 3-Butoxy-2-oxobutyraldehyde?
The molecular formula of 3-Butoxy-2-oxobutyraldehyde is C8H14O3.
What is the molecular weight of 3-Butoxy-2-oxobutyraldehyde?
The molecular weight of 3-Butoxy-2-oxobutyraldehyde is 158.09 g/mol.
Where can I buy 3-Butoxy-2-oxobutyraldehyde?
You can request a quote for 3-Butoxy-2-oxobutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butoxy-2-oxobutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Butoxy-2-oxobutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.