Butyl 4-(benzoyloxy)benzoate
TL;DR: Butyl 4-(benzoyloxy)benzoate (CAS 71626-84-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-benzoyloxybenzoate
Also Known As: butyl 4-benzoyloxybenzoate, butyl 4-(benzoyloxy)benzoate, Benzoic acid, 4-a(benzoyloxy)a-a, butyl ester, Benzoic acid,4-(benzoyloxy)-, butyl ester, 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone acetate(1:1)
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 71626-84-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | MGKPNDRPWCSSQO-UHFFFAOYSA-N |
Product Overview
Butyl 4-(benzoyloxy)benzoate (CAS 71626-84-1), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: butyl 4-benzoyloxybenzoate.
Chemical Property Profile of Butyl 4-(benzoyloxy)benzoate
Property Insights of Butyl 4-(benzoyloxy)benzoate
The XLogP value of 5.3 indicates that Butyl 4-(benzoyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl 4-(benzoyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-(benzoyloxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-(benzoyloxy)benzoate?
The CAS number of Butyl 4-(benzoyloxy)benzoate is 71626-84-1.
What is the molecular formula of Butyl 4-(benzoyloxy)benzoate?
The molecular formula of Butyl 4-(benzoyloxy)benzoate is C18H18O4.
What is the molecular weight of Butyl 4-(benzoyloxy)benzoate?
The molecular weight of Butyl 4-(benzoyloxy)benzoate is 298.12 g/mol.
Where can I buy Butyl 4-(benzoyloxy)benzoate?
You can request a quote for Butyl 4-(benzoyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(benzoyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(benzoyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.