4-Acetylphenyl 4-(heptyloxy)benzoate
TL;DR: 4-Acetylphenyl 4-(heptyloxy)benzoate (CAS 55097-85-3) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 4-heptoxybenzoate
Also Known As: ChemDiv1_018679, DivK1c_003463, 4-acetylphenyl 4-(heptyloxy)benzoate, (4-acetylphenyl) 4-heptoxybenzoate, CDS1_002423
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.4576 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 701.92706 |
Chemical Identifiers
| CAS Number | 55097-85-3 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C |
Product Overview
4-Acetylphenyl 4-(heptyloxy)benzoate (CAS 55097-85-3), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: (4-acetylphenyl) 4-heptoxybenzoate.
Chemical Property Profile of 4-Acetylphenyl 4-(heptyloxy)benzoate
Property Insights of 4-Acetylphenyl 4-(heptyloxy)benzoate
The XLogP value of 5.4576 indicates that 4-Acetylphenyl 4-(heptyloxy)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-Acetylphenyl 4-(heptyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylphenyl 4-(heptyloxy)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-Acetylphenyl 4-(heptyloxy)benzoate?
The CAS number of 4-Acetylphenyl 4-(heptyloxy)benzoate is 55097-85-3.
What is the molecular formula of 4-Acetylphenyl 4-(heptyloxy)benzoate?
The molecular formula of 4-Acetylphenyl 4-(heptyloxy)benzoate is C22H26O4.
What is the molecular weight of 4-Acetylphenyl 4-(heptyloxy)benzoate?
The molecular weight of 4-Acetylphenyl 4-(heptyloxy)benzoate is 354.18 g/mol.
Where can I buy 4-Acetylphenyl 4-(heptyloxy)benzoate?
You can request a quote for 4-Acetylphenyl 4-(heptyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 4-(heptyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 4-(heptyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.