![3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate structure](/static/products/5206/52067-45-5.webp)
3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate
TL;DR: 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate (CAS 52067-45-5) is a chemical compound with molecular formula C10H16O6 and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diacetyloxybutyl acetate
Also Known As: 3,4-diacetyloxybutyl acetate, 1,2,4-Butanetriol, triacetate, acetic acid,butane-1,2,4-triol, (S)-1,2,4-TRIACETOXYBUTANE, 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate
| Molecular Formula | C10H16O6 |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.09468 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 52067-45-5 |
|---|---|
| SMILES | CC(=O)OCCC(COC(=O)C)OC(=O)C |
| InChIKey | RPOOYSKKKVGNAP-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate (CAS 52067-45-5), with molecular formula C10H16O6 and molecular weight 232.09 g/mol. IUPAC: 3,4-diacetyloxybutyl acetate.
Chemical Property Profile of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate
Property Insights of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate. Following Lipinski's Rule of Five, 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate has 0 hydrogen bond donor(s) and 6 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 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate?
The CAS number of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate is 52067-45-5.
What is the molecular formula of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate?
The molecular formula of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate is C10H16O6.
What is the molecular weight of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate?
The molecular weight of 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate is 232.09 g/mol.
Where can I buy 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate?
You can request a quote for 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-1-[(acetyloxy)methyl]propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.