4-Propanoylphenyl 3-bromo-4-methylbenzoate
TL;DR: 4-Propanoylphenyl 3-bromo-4-methylbenzoate (CAS 511516-50-0) is a chemical compound with molecular formula C17H15BrO3 and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propanoylphenyl) 3-bromo-4-methylbenzoate
Also Known As: 4-propanoylphenyl 3-bromo-4-methylbenzoate, 4-propionylphenyl 3-bromo-4-methylbenzoate, (4-propanoylphenyl) 3-bromo-4-methylbenzoate, AB01317742-02, AN-329/12141363
| Molecular Formula | C17H15BrO3 |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 4.56942 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.02045 |
| Heavy Atoms | 21 |
| Complexity | 674.93463 |
Chemical Identifiers
| CAS Number | 511516-50-0 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)Br |
Product Overview
4-Propanoylphenyl 3-bromo-4-methylbenzoate (CAS 511516-50-0), with molecular formula C17H15BrO3 and molecular weight 346.02 g/mol. IUPAC: (4-propanoylphenyl) 3-bromo-4-methylbenzoate.
Chemical Property Profile of 4-Propanoylphenyl 3-bromo-4-methylbenzoate
Property Insights of 4-Propanoylphenyl 3-bromo-4-methylbenzoate
The XLogP value of 4.56942 indicates that 4-Propanoylphenyl 3-bromo-4-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-bromo-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propanoylphenyl 3-bromo-4-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-bromo-4-methylbenzoate?
The CAS number of 4-Propanoylphenyl 3-bromo-4-methylbenzoate is 511516-50-0.
What is the molecular formula of 4-Propanoylphenyl 3-bromo-4-methylbenzoate?
The molecular formula of 4-Propanoylphenyl 3-bromo-4-methylbenzoate is C17H15BrO3.
What is the molecular weight of 4-Propanoylphenyl 3-bromo-4-methylbenzoate?
The molecular weight of 4-Propanoylphenyl 3-bromo-4-methylbenzoate is 346.02 g/mol.
Where can I buy 4-Propanoylphenyl 3-bromo-4-methylbenzoate?
You can request a quote for 4-Propanoylphenyl 3-bromo-4-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-bromo-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propanoylphenyl 3-bromo-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.