Propyl 2-benzoylbenzoate
TL;DR: Propyl 2-benzoylbenzoate (CAS 604-62-6) 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.
propyl 2-benzoylbenzoate
Also Known As: propyl 2-benzoylbenzoate, Propyl-2-benzoylbenzoat, NCIOpen2_002871, Benzoic acid,2-benzoyl-, propyl ester
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 604-62-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2 |
| InChIKey | RULXLQHNRULFRO-UHFFFAOYSA-N |
Product Overview
Propyl 2-benzoylbenzoate (CAS 604-62-6), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: propyl 2-benzoylbenzoate.
Chemical Property Profile of Propyl 2-benzoylbenzoate
Property Insights of Propyl 2-benzoylbenzoate
The XLogP value of 3.6 indicates that Propyl 2-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Propyl 2-benzoylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-benzoylbenzoate 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 Propyl 2-benzoylbenzoate?
The CAS number of Propyl 2-benzoylbenzoate is 604-62-6.
What is the molecular formula of Propyl 2-benzoylbenzoate?
The molecular formula of Propyl 2-benzoylbenzoate is C17H16O3.
What is the molecular weight of Propyl 2-benzoylbenzoate?
The molecular weight of Propyl 2-benzoylbenzoate is 268.11 g/mol.
Where can I buy Propyl 2-benzoylbenzoate?
You can request a quote for Propyl 2-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.