1,1-Diethoxybutane
TL;DR: 1,1-Diethoxybutane (CAS 3658-95-5) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxybutane
Also Known As: 1,1-Diethoxybutane, Butane, 1,1-diethoxy-, Butyraldehyde, diethyl acetal, butyraldehyde diethylacetal, Butanal diethyl acetal
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 3658-95-5 |
|---|---|
| SMILES | CCCC(OCC)OCC |
| InChIKey | UVHXZFGCCJLFMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethoxybutane (CAS 3658-95-5), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 1,1-diethoxybutane.
Chemical Property Profile of 1,1-Diethoxybutane
Property Insights of 1,1-Diethoxybutane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethoxybutane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Diethoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethoxybutane has 0 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 1,1-Diethoxybutane?
The CAS number of 1,1-Diethoxybutane is 3658-95-5.
What is the molecular formula of 1,1-Diethoxybutane?
The molecular formula of 1,1-Diethoxybutane is C8H18O2.
What is the molecular weight of 1,1-Diethoxybutane?
The molecular weight of 1,1-Diethoxybutane is 146.13 g/mol.
Where can I buy 1,1-Diethoxybutane?
You can request a quote for 1,1-Diethoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.