Tri-n-butyl orthoformate
TL;DR: Tri-n-butyl orthoformate (CAS 588-43-2) is a chemical compound with molecular formula C13H28O3 and molecular weight 232.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dibutoxymethoxy)butane
Also Known As: Tributyl orthoformate, Tributoxymethane, 1-(Dibutoxymethoxy)butane, tri-n-Butyl orthoformate, tributoxy-methane
| Molecular Formula | C13H28O3 |
|---|---|
| Molecular Weight | 232.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 232.20384 |
| Heavy Atoms | 16 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 588-43-2 |
|---|---|
| SMILES | CCCCOC(OCCCC)OCCCC |
| InChIKey | SGJBIFUEFLWXJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-n-butyl orthoformate (CAS 588-43-2), with molecular formula C13H28O3 and molecular weight 232.20 g/mol. IUPAC: 1-(dibutoxymethoxy)butane.
Chemical Property Profile of Tri-n-butyl orthoformate
Property Insights of Tri-n-butyl orthoformate
The XLogP value of 3.8 indicates that Tri-n-butyl orthoformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Tri-n-butyl orthoformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tri-n-butyl orthoformate has 0 hydrogen bond donor(s) and 3 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 Tri-n-butyl orthoformate?
The CAS number of Tri-n-butyl orthoformate is 588-43-2.
What is the molecular formula of Tri-n-butyl orthoformate?
The molecular formula of Tri-n-butyl orthoformate is C13H28O3.
What is the molecular weight of Tri-n-butyl orthoformate?
The molecular weight of Tri-n-butyl orthoformate is 232.20 g/mol.
Where can I buy Tri-n-butyl orthoformate?
You can request a quote for Tri-n-butyl orthoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-n-butyl orthoformate?
Yes, KEHONG BIO provides custom synthesis services for Tri-n-butyl orthoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.