4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate
TL;DR: 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate (CAS 64240-65-9) is a chemical compound with molecular formula C25H32O5 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutoxycarbonyl)phenyl] 4-hexoxybenzoate
Also Known As: 4-[carbonyl]phenyl4- benzoate, 4-[ carbonyl]phenyl4- benzoate, 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate, 4-[(2-METHYLBUTOXY)CARBONYL]PHENYL 4-(HEXYLOXY)BENZOATE, Benzoic acid, 4-(hexyloxy)-, 4-((2-methylbutoxy)carbonyl)phenyl ester
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 64240-65-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)CC |
| InChIKey | PFFXLOXLWSVOSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate (CAS 64240-65-9), with molecular formula C25H32O5 and molecular weight 412.22 g/mol. IUPAC: [4-(2-methylbutoxycarbonyl)phenyl] 4-hexoxybenzoate.
Chemical Property Profile of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate
Property Insights of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate
The XLogP value of 7.2 indicates that 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate. Following Lipinski's Rule of Five, 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The CAS number of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate is 64240-65-9.
What is the molecular formula of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The molecular formula of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate is C25H32O5.
What is the molecular weight of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The molecular weight of 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate is 412.22 g/mol.
Where can I buy 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
You can request a quote for 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Methylbutoxy)carbonyl)phenyl 4-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.