1,1-Diisobutoxy-butane
TL;DR: 1,1-Diisobutoxy-butane (CAS 13002-16-9) 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-bis(2-methylpropoxy)butane
Also Known As: 1,1-Diisobutoxy-butane, 1,1-Diisobutoxybutane, 1,1-bis(2-methylpropoxy)butane, 1,1-Diisobutoxybutan, n-butyraldehyde diisobutyl acetal
| Molecular Formula | C12H26O2 |
|---|---|
| Molecular Weight | 202.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.19328 |
| Heavy Atoms | 14 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 13002-16-9 |
|---|---|
| SMILES | CCCC(OCC(C)C)OCC(C)C |
| InChIKey | UAPNJCMKUJQPBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diisobutoxy-butane (CAS 13002-16-9), with molecular formula C12H26O2 and molecular weight 202.19 g/mol. IUPAC: 1,1-bis(2-methylpropoxy)butane.
Chemical Property Profile of 1,1-Diisobutoxy-butane
Property Insights of 1,1-Diisobutoxy-butane
The XLogP value of 4.0 indicates that 1,1-Diisobutoxy-butane 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-Diisobutoxy-butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diisobutoxy-butane 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-Diisobutoxy-butane?
The CAS number of 1,1-Diisobutoxy-butane is 13002-16-9.
What is the molecular formula of 1,1-Diisobutoxy-butane?
The molecular formula of 1,1-Diisobutoxy-butane is C12H26O2.
What is the molecular weight of 1,1-Diisobutoxy-butane?
The molecular weight of 1,1-Diisobutoxy-butane is 202.19 g/mol.
Where can I buy 1,1-Diisobutoxy-butane?
You can request a quote for 1,1-Diisobutoxy-butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diisobutoxy-butane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diisobutoxy-butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.