1,1-Dibutoxybutane
TL;DR: 1,1-Dibutoxybutane (CAS 5921-80-2) is a chemical compound with molecular formula C12H26O2 and molecular weight 202.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibutoxybutane
Also Known As: 1,1-DIBUTOXYBUTANE, butyraldehyde dibutyl acetal, Butane, 1,1-dibutoxy-, Lageracetal, dibutoxybutane
| Molecular Formula | C12H26O2 |
|---|---|
| Molecular Weight | 202.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.19328 |
| Heavy Atoms | 14 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 5921-80-2 |
|---|---|
| SMILES | CCCCOC(CCC)OCCCC |
| InChIKey | WQRBJFZKPWPIJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibutoxybutane (CAS 5921-80-2), with molecular formula C12H26O2 and molecular weight 202.19 g/mol. IUPAC: 1,1-dibutoxybutane.
Chemical Property Profile of 1,1-Dibutoxybutane
Property Insights of 1,1-Dibutoxybutane
The XLogP value of 3.8 indicates that 1,1-Dibutoxybutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Dibutoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutoxybutane 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-Dibutoxybutane?
The CAS number of 1,1-Dibutoxybutane is 5921-80-2.
What is the molecular formula of 1,1-Dibutoxybutane?
The molecular formula of 1,1-Dibutoxybutane is C12H26O2.
What is the molecular weight of 1,1-Dibutoxybutane?
The molecular weight of 1,1-Dibutoxybutane is 202.19 g/mol.
Where can I buy 1,1-Dibutoxybutane?
You can request a quote for 1,1-Dibutoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibutoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.