3-(3-Phenoxypropoxy)propyl 2-methylpropanoate
TL;DR: 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate (CAS 69-52-3) 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 2-methylpropanoate
Also Known As: AMPICILLIN SODIUM, 3-(3-phenoxypropoxy)propyl 2-methylpropanoate, Propanoic acid,2-methyl-, 3-(3-phenoxypropoxy)propyl ester
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 69-52-3 |
|---|---|
| SMILES | CC(C)C(=O)OCCCOCCCOC1=CC=CC=C1 |
| InChIKey | DIESBQXHEVHSPV-UHFFFAOYSA-N |
Product Overview
3-(3-Phenoxypropoxy)propyl 2-methylpropanoate (CAS 69-52-3), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 3-(3-phenoxypropoxy)propyl 2-methylpropanoate.
Chemical Property Profile of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate
Property Insights of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate
The XLogP value of 3.4 indicates that 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate 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 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate 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 2-methylpropanoate?
The CAS number of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate is 69-52-3.
What is the molecular formula of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate?
The molecular formula of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate is C16H24O4.
What is the molecular weight of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate?
The molecular weight of 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate is 280.17 g/mol.
Where can I buy 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate?
You can request a quote for 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate 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 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenoxypropoxy)propyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.