Butyroyloxymethyl butyrate
TL;DR: Butyroyloxymethyl butyrate (CAS 55696-44-1) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanoyloxymethyl butanoate
Also Known As: methylene dibutyrate, butyroyloxymethyl butyrate, Butanoyloxymethyl Butanoate, Dibutyric acid methylene ester, (BUTANOYLOXY)METHYL BUTANOATE
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.6305 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 146.99763 |
Chemical Identifiers
| CAS Number | 55696-44-1 |
|---|---|
| SMILES | CCCC(=O)OCOC(=O)CCC |
Product Overview
Butyroyloxymethyl butyrate (CAS 55696-44-1), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: butanoyloxymethyl butanoate.
Chemical Property Profile of Butyroyloxymethyl butyrate
Property Insights of Butyroyloxymethyl butyrate
The XLogP value of 1.6305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyroyloxymethyl butyrate. With a topological polar surface area (TPSA) of 52.6 Ų, Butyroyloxymethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyroyloxymethyl butyrate 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 Butyroyloxymethyl butyrate?
The CAS number of Butyroyloxymethyl butyrate is 55696-44-1.
What is the molecular formula of Butyroyloxymethyl butyrate?
The molecular formula of Butyroyloxymethyl butyrate is C9H16O4.
What is the molecular weight of Butyroyloxymethyl butyrate?
The molecular weight of Butyroyloxymethyl butyrate is 188.10 g/mol.
Where can I buy Butyroyloxymethyl butyrate?
You can request a quote for Butyroyloxymethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyroyloxymethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Butyroyloxymethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.