1-Butanoyloxypropyl butanoate
TL;DR: 1-Butanoyloxypropyl butanoate (CAS 57422-16-9) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butanoyloxypropyl butanoate
Also Known As: 1-butanoyloxypropyl butanoate, propanediol dibutyrate, propane-1,1-diyl dibutanoate, 1,1-bis-butyryloxy-propane, 1,1-Propanediol, dibutyrate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 57422-16-9 |
|---|---|
| SMILES | CCCC(=O)OC(CC)OC(=O)CCC |
| InChIKey | BPGQBXWSUSDSQY-UHFFFAOYSA-N |
Product Overview
1-Butanoyloxypropyl butanoate (CAS 57422-16-9), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 1-butanoyloxypropyl butanoate.
Chemical Property Profile of 1-Butanoyloxypropyl butanoate
Property Insights of 1-Butanoyloxypropyl butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanoyloxypropyl butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Butanoyloxypropyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanoyloxypropyl butanoate 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 1-Butanoyloxypropyl butanoate?
The CAS number of 1-Butanoyloxypropyl butanoate is 57422-16-9.
What is the molecular formula of 1-Butanoyloxypropyl butanoate?
The molecular formula of 1-Butanoyloxypropyl butanoate is C11H20O4.
What is the molecular weight of 1-Butanoyloxypropyl butanoate?
The molecular weight of 1-Butanoyloxypropyl butanoate is 216.14 g/mol.
Where can I buy 1-Butanoyloxypropyl butanoate?
You can request a quote for 1-Butanoyloxypropyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanoyloxypropyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanoyloxypropyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.