Propylene glycol dibutyrate
TL;DR: Propylene glycol dibutyrate (CAS 50980-84-2) 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.
2-butanoyloxypropyl butanoate
Also Known As: Propylene glycol dibutyrate, Propane-1,2-diyl dibutyrate, propylene dibutyrate, 2-butanoyloxypropyl butanoate, Propyleneglycol di-n-Butyrate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.1 |
| 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 | 201.0 |
Chemical Identifiers
| CAS Number | 50980-84-2 |
|---|---|
| SMILES | CCCC(=O)OCC(C)OC(=O)CCC |
| InChIKey | RWNOITVZTGQIRG-UHFFFAOYSA-N |
Product Overview
Propylene glycol dibutyrate (CAS 50980-84-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 2-butanoyloxypropyl butanoate.
Chemical Property Profile of Propylene glycol dibutyrate
Property Insights of Propylene glycol dibutyrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene glycol dibutyrate. With a topological polar surface area (TPSA) of 52.6 Ų, Propylene glycol dibutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene glycol 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 Propylene glycol dibutyrate?
The CAS number of Propylene glycol dibutyrate is 50980-84-2.
What is the molecular formula of Propylene glycol dibutyrate?
The molecular formula of Propylene glycol dibutyrate is C11H20O4.
What is the molecular weight of Propylene glycol dibutyrate?
The molecular weight of Propylene glycol dibutyrate is 216.14 g/mol.
Where can I buy Propylene glycol dibutyrate?
You can request a quote for Propylene glycol dibutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene glycol dibutyrate?
Yes, KEHONG BIO provides custom synthesis services for Propylene glycol dibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.