1-Phenoxypropan-2-yl hexanoate
TL;DR: 1-Phenoxypropan-2-yl hexanoate (CAS 6278-53-1) 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 hexanoate
Also Known As: 1-phenoxypropan-2-yl hexanoate, Hexanoic acid,1-methyl-2-phenoxyethyl ester, phenyl-acetic acid-(4-methyl-cyclohexyl ester)
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6278-53-1 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)COC1=CC=CC=C1 |
| InChIKey | IOGURQILKBZVIJ-UHFFFAOYSA-N |
Product Overview
1-Phenoxypropan-2-yl hexanoate (CAS 6278-53-1), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 1-phenoxypropan-2-yl hexanoate.
Chemical Property Profile of 1-Phenoxypropan-2-yl hexanoate
Property Insights of 1-Phenoxypropan-2-yl hexanoate
The XLogP value of 4.1 indicates that 1-Phenoxypropan-2-yl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenoxypropan-2-yl hexanoate 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 hexanoate?
The CAS number of 1-Phenoxypropan-2-yl hexanoate is 6278-53-1.
What is the molecular formula of 1-Phenoxypropan-2-yl hexanoate?
The molecular formula of 1-Phenoxypropan-2-yl hexanoate is C15H22O3.
What is the molecular weight of 1-Phenoxypropan-2-yl hexanoate?
The molecular weight of 1-Phenoxypropan-2-yl hexanoate is 250.16 g/mol.
Where can I buy 1-Phenoxypropan-2-yl hexanoate?
You can request a quote for 1-Phenoxypropan-2-yl hexanoate 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 hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenoxypropan-2-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.