4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate
TL;DR: 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate (CAS 133676-09-2) is a chemical compound with molecular formula C28H38O5 and molecular weight 454.2719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate
Also Known As: EINECS 264-746-0, (S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate, 2-iodo-4-(trifluoromethoxy)aniline, 4-[[(1-METHYLHEPTYL)OXY]CARBONYL]PHENYL 4-(HEXYLOXY)BENZOATE, (4-octan-2-yloxycarbonylphenyl) 4-hexoxybenzoate
Technical Specifications
| Molecular Formula | C28H38O5 |
| Molecular Weight | 454.2719 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 454.2719 Da |
| Heavy Atoms | 33 |
| Complexity | 532.0 |
| SMILES | CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC |
| InChIKey | PLGPDUBTEHIWRH-UHFFFAOYSA-N |
Chemical Property Profile of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate
Property Insights of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate
The XLogP value of 8.8 indicates that 4-(((1-Methylheptyl)oxy)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-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate. Following Lipinski's Rule of Five, 4-(((1-Methylheptyl)oxy)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
What is the CAS number of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The CAS number of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate is 133676-09-2.
What is the molecular formula of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The molecular formula of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate is C28H38O5.
What is the molecular weight of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
The molecular weight of 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate is 454.2719 g/mol.
Where can I buy 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
You can request a quote for 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate?
Yes, CoreyChem provides custom synthesis services for 4-(((1-Methylheptyl)oxy)carbonyl)phenyl 4-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.