Tetramethylene dibutyrate
TL;DR: Tetramethylene dibutyrate (CAS 1767-22-2) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butanoyloxybutyl butanoate
Also Known As: tetramethylene dibutyrate, 1,4-bis-butyryloxy-butane, 4-butanoyloxybutyl Butanoate, 4-(butanoyloxy)butyl butanoate, Dibutyric acid 1,4-butanediyl
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.19543 |
Chemical Identifiers
| CAS Number | 1767-22-2 |
|---|---|
| SMILES | CCCC(=O)OCCCCOC(=O)CCC |
Product Overview
Tetramethylene dibutyrate (CAS 1767-22-2), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 4-butanoyloxybutyl butanoate.
Chemical Property Profile of Tetramethylene dibutyrate
Property Insights of Tetramethylene dibutyrate
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetramethylene dibutyrate. With a topological polar surface area (TPSA) of 52.6 Ų, Tetramethylene dibutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetramethylene dibutyrate has 0 hydrogen bond donor(s) and 4 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 Tetramethylene dibutyrate?
The CAS number of Tetramethylene dibutyrate is 1767-22-2.
What is the molecular formula of Tetramethylene dibutyrate?
The molecular formula of Tetramethylene dibutyrate is C12H22O4.
What is the molecular weight of Tetramethylene dibutyrate?
The molecular weight of Tetramethylene dibutyrate is 230.15 g/mol.
Where can I buy Tetramethylene dibutyrate?
You can request a quote for Tetramethylene dibutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetramethylene dibutyrate?
Yes, KEHONG BIO provides custom synthesis services for Tetramethylene dibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.