1-Phenoxypropan-2-yl 2-ethylbutanoate
TL;DR: 1-Phenoxypropan-2-yl 2-ethylbutanoate (CAS 5436-73-7) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenoxypropan-2-yl 2-ethylbutanoate
Also Known As: 1-phenoxypropan-2-yl 2-ethylbutanoate, Butanoic acid,2-ethyl-, 1-methyl-2-phenoxyethyl ester, Butanoic acid,2-ethyl-,1-methyl-2-phenoxyethyl ester
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5436-73-7 |
|---|---|
| SMILES | CCC(CC)C(=O)OC(C)COC1=CC=CC=C1 |
| InChIKey | IIYMLQQDPSKCLN-UHFFFAOYSA-N |
Product Overview
1-Phenoxypropan-2-yl 2-ethylbutanoate (CAS 5436-73-7), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 1-phenoxypropan-2-yl 2-ethylbutanoate.
Chemical Property Profile of 1-Phenoxypropan-2-yl 2-ethylbutanoate
Property Insights of 1-Phenoxypropan-2-yl 2-ethylbutanoate
The XLogP value of 4.0 indicates that 1-Phenoxypropan-2-yl 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Phenoxypropan-2-yl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenoxypropan-2-yl 2-ethylbutanoate has 0 hydrogen bond donor(s) and 3 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 1-Phenoxypropan-2-yl 2-ethylbutanoate?
The CAS number of 1-Phenoxypropan-2-yl 2-ethylbutanoate is 5436-73-7.
What is the molecular formula of 1-Phenoxypropan-2-yl 2-ethylbutanoate?
The molecular formula of 1-Phenoxypropan-2-yl 2-ethylbutanoate is C15H22O3.
What is the molecular weight of 1-Phenoxypropan-2-yl 2-ethylbutanoate?
The molecular weight of 1-Phenoxypropan-2-yl 2-ethylbutanoate is 250.16 g/mol.
Where can I buy 1-Phenoxypropan-2-yl 2-ethylbutanoate?
You can request a quote for 1-Phenoxypropan-2-yl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenoxypropan-2-yl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenoxypropan-2-yl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.