1,1-Dibutoxypropane
TL;DR: 1,1-Dibutoxypropane (CAS 13002-10-3) is a chemical compound with molecular formula C11H24O2 and molecular weight 188.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-butoxypropoxy)butane
Also Known As: 1,1-Dibutoxypropane, 1-(1-butoxypropoxy)butane, Propanal dibutyl acetal, 1-Butoxypropylbutyl ether, propionaldehyde dibutylacetal
| Molecular Formula | C11H24O2 |
|---|---|
| Molecular Weight | 188.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.17763 |
| Heavy Atoms | 13 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 13002-10-3 |
|---|---|
| SMILES | CCCCOC(CC)OCCCC |
| InChIKey | MVRQPLODTYELJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibutoxypropane (CAS 13002-10-3), with molecular formula C11H24O2 and molecular weight 188.18 g/mol. IUPAC: 1-(1-butoxypropoxy)butane.
Chemical Property Profile of 1,1-Dibutoxypropane
Property Insights of 1,1-Dibutoxypropane
The XLogP value of 3.5 indicates that 1,1-Dibutoxypropane 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-Dibutoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutoxypropane 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-Dibutoxypropane?
The CAS number of 1,1-Dibutoxypropane is 13002-10-3.
What is the molecular formula of 1,1-Dibutoxypropane?
The molecular formula of 1,1-Dibutoxypropane is C11H24O2.
What is the molecular weight of 1,1-Dibutoxypropane?
The molecular weight of 1,1-Dibutoxypropane is 188.18 g/mol.
Where can I buy 1,1-Dibutoxypropane?
You can request a quote for 1,1-Dibutoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibutoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.