1,1-Dibutoxyhexane
TL;DR: 1,1-Dibutoxyhexane (CAS 93892-07-0) is a chemical compound with molecular formula C14H30O2 and molecular weight 230.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibutoxyhexane
Also Known As: 1,1-Dibutoxyhexane, hexanal dibutyl acetal, Hexane, 1,1-dibutoxy-, EINECS 299-487-2, 299-487-2
| Molecular Formula | C14H30O2 |
|---|---|
| Molecular Weight | 230.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 230.22458 |
| Heavy Atoms | 16 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 93892-07-0 |
|---|---|
| SMILES | CCCCCC(OCCCC)OCCCC |
| InChIKey | XXIXJIRNHGJXBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibutoxyhexane (CAS 93892-07-0), with molecular formula C14H30O2 and molecular weight 230.22 g/mol. IUPAC: 1,1-dibutoxyhexane.
Chemical Property Profile of 1,1-Dibutoxyhexane
Property Insights of 1,1-Dibutoxyhexane
The XLogP value of 4.9 indicates that 1,1-Dibutoxyhexane 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-Dibutoxyhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutoxyhexane 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-Dibutoxyhexane?
The CAS number of 1,1-Dibutoxyhexane is 93892-07-0.
What is the molecular formula of 1,1-Dibutoxyhexane?
The molecular formula of 1,1-Dibutoxyhexane is C14H30O2.
What is the molecular weight of 1,1-Dibutoxyhexane?
The molecular weight of 1,1-Dibutoxyhexane is 230.22 g/mol.
Where can I buy 1,1-Dibutoxyhexane?
You can request a quote for 1,1-Dibutoxyhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibutoxyhexane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutoxyhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.