2-Acetoxymethyl-4-benzyloxybut-1-yl acetate
TL;DR: 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate (CAS 131266-10-9) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-4-phenylmethoxybutyl] acetate
Also Known As: 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate, 2-(ACETOXYMETHYL)-4-(BENZYLOXY)BUTYL ACETATE, EC 407-140-5, [2-(acetyloxymethyl)-4-phenylmethoxybutyl] acetate, 2-acetoxymethyl-4-benzyloxy-but-1-yl acetate
| Molecular Formula | C16H22O5 |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 2.3357 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.14673 |
| Heavy Atoms | 21 |
| Complexity | 411.55328 |
Chemical Identifiers
| CAS Number | 131266-10-9 |
|---|---|
| SMILES | CC(=O)OCC(CCOCC1=CC=CC=C1)COC(=O)C |
Product Overview
2-Acetoxymethyl-4-benzyloxybut-1-yl acetate (CAS 131266-10-9), with molecular formula C16H22O5 and molecular weight 294.15 g/mol. IUPAC: [2-(acetyloxymethyl)-4-phenylmethoxybutyl] acetate.
Chemical Property Profile of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate
Property Insights of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate
The XLogP value of 2.3357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate. Following Lipinski's Rule of Five, 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate has 0 hydrogen bond donor(s) and 5 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 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate?
The CAS number of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate is 131266-10-9.
What is the molecular formula of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate?
The molecular formula of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate is C16H22O5.
What is the molecular weight of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate?
The molecular weight of 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate is 294.15 g/mol.
Where can I buy 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate?
You can request a quote for 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxymethyl-4-benzyloxybut-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.