4-Butanoylphenyl 4-(octyloxy)benzoate
TL;DR: 4-Butanoylphenyl 4-(octyloxy)benzoate (CAS 55097-97-7) is a chemical compound with molecular formula C25H32O4 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butanoylphenyl) 4-octoxybenzoate
Also Known As: (4-butanoylphenyl) 4-octoxybenzoate, 4-butyrylphenyl 4-(octyloxy)benzoate, 4-butanoylphenyl 4-(octyloxy)benzoate, 4-Octyloxy-benzoic acid 4-butyryl-phenyl ester
| Molecular Formula | C25H32O4 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 6.6279 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 396.23007 |
| Heavy Atoms | 29 |
| Complexity | 747.39777 |
Chemical Identifiers
| CAS Number | 55097-97-7 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CCC |
Product Overview
4-Butanoylphenyl 4-(octyloxy)benzoate (CAS 55097-97-7), with molecular formula C25H32O4 and molecular weight 396.23 g/mol. IUPAC: (4-butanoylphenyl) 4-octoxybenzoate.
Chemical Property Profile of 4-Butanoylphenyl 4-(octyloxy)benzoate
Property Insights of 4-Butanoylphenyl 4-(octyloxy)benzoate
The XLogP value of 6.6279 indicates that 4-Butanoylphenyl 4-(octyloxy)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, 4-Butanoylphenyl 4-(octyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butanoylphenyl 4-(octyloxy)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 4-Butanoylphenyl 4-(octyloxy)benzoate?
The CAS number of 4-Butanoylphenyl 4-(octyloxy)benzoate is 55097-97-7.
What is the molecular formula of 4-Butanoylphenyl 4-(octyloxy)benzoate?
The molecular formula of 4-Butanoylphenyl 4-(octyloxy)benzoate is C25H32O4.
What is the molecular weight of 4-Butanoylphenyl 4-(octyloxy)benzoate?
The molecular weight of 4-Butanoylphenyl 4-(octyloxy)benzoate is 396.23 g/mol.
Where can I buy 4-Butanoylphenyl 4-(octyloxy)benzoate?
You can request a quote for 4-Butanoylphenyl 4-(octyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butanoylphenyl 4-(octyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butanoylphenyl 4-(octyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.