3-(3-Phenoxypropoxy)propyl butanoate
TL;DR: 3-(3-Phenoxypropoxy)propyl butanoate (CAS 6278-65-5) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenoxypropoxy)propyl butanoate
Also Known As: 2-ethylhexyl ester, 3-(3-phenoxypropoxy)propyl butanoate, Butanoic acid, 3-(3-phenoxypropoxy)propylester
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 6278-65-5 |
|---|---|
| SMILES | CCCC(=O)OCCCOCCCOC1=CC=CC=C1 |
| InChIKey | RZAZYEVUIWBRNI-UHFFFAOYSA-N |
Product Overview
3-(3-Phenoxypropoxy)propyl butanoate (CAS 6278-65-5), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 3-(3-phenoxypropoxy)propyl butanoate.
Chemical Property Profile of 3-(3-Phenoxypropoxy)propyl butanoate
Property Insights of 3-(3-Phenoxypropoxy)propyl butanoate
The XLogP value of 3.2 indicates that 3-(3-Phenoxypropoxy)propyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(3-Phenoxypropoxy)propyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenoxypropoxy)propyl 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 3-(3-Phenoxypropoxy)propyl butanoate?
The CAS number of 3-(3-Phenoxypropoxy)propyl butanoate is 6278-65-5.
What is the molecular formula of 3-(3-Phenoxypropoxy)propyl butanoate?
The molecular formula of 3-(3-Phenoxypropoxy)propyl butanoate is C16H24O4.
What is the molecular weight of 3-(3-Phenoxypropoxy)propyl butanoate?
The molecular weight of 3-(3-Phenoxypropoxy)propyl butanoate is 280.17 g/mol.
Where can I buy 3-(3-Phenoxypropoxy)propyl butanoate?
You can request a quote for 3-(3-Phenoxypropoxy)propyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Phenoxypropoxy)propyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenoxypropoxy)propyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.