1,1,1-Trimethoxybutane
TL;DR: 1,1,1-Trimethoxybutane (CAS 4675-64-3) is a chemical compound with molecular formula CCCC(OC)(OC)OC and molecular weight 148.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trimethoxybutane
Also Known As: Trimethyl orthobutyrate, 1,1,1-Trimethoxybutane, Trimethylorthobutyrate, methyl orthobutyrate, 1,1,1-trimethoxybutan
| Molecular Formula | CCCC(OC)(OC)OC |
|---|---|
| Molecular Weight | 148.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.10994 |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 4675-64-3 |
|---|---|
| SMILES | CCCC(OC)(OC)OC |
| InChIKey | JAFMOTJMRSZOJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trimethoxybutane (CAS 4675-64-3), with molecular formula CCCC(OC)(OC)OC and molecular weight 148.11 g/mol. IUPAC: 1,1,1-trimethoxybutane.
Chemical Property Profile of 1,1,1-Trimethoxybutane
Property Insights of 1,1,1-Trimethoxybutane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trimethoxybutane. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,1-Trimethoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trimethoxybutane 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 1,1,1-Trimethoxybutane?
The CAS number of 1,1,1-Trimethoxybutane is 4675-64-3.
What is the molecular formula of 1,1,1-Trimethoxybutane?
The molecular formula of 1,1,1-Trimethoxybutane is CCCC(OC)(OC)OC.
What is the molecular weight of 1,1,1-Trimethoxybutane?
The molecular weight of 1,1,1-Trimethoxybutane is 148.11 g/mol.
Where can I buy 1,1,1-Trimethoxybutane?
You can request a quote for 1,1,1-Trimethoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trimethoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trimethoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.