4-Propanoylphenyl 3-methylbenzoate
TL;DR: 4-Propanoylphenyl 3-methylbenzoate (CAS 354796-51-3) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propanoylphenyl) 3-methylbenzoate
Also Known As: 4-propanoylphenyl 3-methylbenzoate, 4-propionylphenyl 3-methylbenzoate, (4-propanoylphenyl) 3-methylbenzoate, BIM-0012971.P001
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.80692 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 626.9383 |
Chemical Identifiers
| CAS Number | 354796-51-3 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C |
Product Overview
4-Propanoylphenyl 3-methylbenzoate (CAS 354796-51-3), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (4-propanoylphenyl) 3-methylbenzoate.
Chemical Property Profile of 4-Propanoylphenyl 3-methylbenzoate
Property Insights of 4-Propanoylphenyl 3-methylbenzoate
The XLogP value of 3.80692 indicates that 4-Propanoylphenyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Propanoylphenyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propanoylphenyl 3-methylbenzoate 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 4-Propanoylphenyl 3-methylbenzoate?
The CAS number of 4-Propanoylphenyl 3-methylbenzoate is 354796-51-3.
What is the molecular formula of 4-Propanoylphenyl 3-methylbenzoate?
The molecular formula of 4-Propanoylphenyl 3-methylbenzoate is C17H16O3.
What is the molecular weight of 4-Propanoylphenyl 3-methylbenzoate?
The molecular weight of 4-Propanoylphenyl 3-methylbenzoate is 268.11 g/mol.
Where can I buy 4-Propanoylphenyl 3-methylbenzoate?
You can request a quote for 4-Propanoylphenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propanoylphenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propanoylphenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.