Butyl o-benzoylbenzoate
TL;DR: Butyl o-benzoylbenzoate (CAS 63678-00-2) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-benzoylbenzoate
Also Known As: Butyl o-benzoylbenzoate, Ketonone B, butyl 2-benzoylbenzoate, Benzoic acid, butyl ester, n-Butyl-O-benzoyl benzoate
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 63678-00-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2 |
| InChIKey | VMHKPGQWBDCKSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl o-benzoylbenzoate (CAS 63678-00-2), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: butyl 2-benzoylbenzoate.
Chemical Property Profile of Butyl o-benzoylbenzoate
Property Insights of Butyl o-benzoylbenzoate
The XLogP value of 5.8 indicates that Butyl o-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, Butyl o-benzoylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl o-benzoylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl o-benzoylbenzoate?
The CAS number of Butyl o-benzoylbenzoate is 63678-00-2.
What is the molecular formula of Butyl o-benzoylbenzoate?
The molecular formula of Butyl o-benzoylbenzoate is C18H18O3.
What is the molecular weight of Butyl o-benzoylbenzoate?
The molecular weight of Butyl o-benzoylbenzoate is 282.13 g/mol.
Where can I buy Butyl o-benzoylbenzoate?
You can request a quote for Butyl o-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl o-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl o-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.