4-Nitrophenyl 4-(hexyloxy)benzoate
TL;DR: 4-Nitrophenyl 4-(hexyloxy)benzoate (CAS 64581-07-3) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-hexoxybenzoate
Also Known As: 4-nitrophenyl 4-(hexyloxy)benzoate, (4-nitrophenyl) 4-hexoxybenzoate, 4-nitrophenyl 4-hexyloxybenzoate, 4-Nitrophenyl-4'-hexyloxybenzoat, 4-(Hexyloxy)benzoic acid 4-nitrophenyl ester
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 4.7731 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 694.75934 |
Chemical Identifiers
| CAS Number | 64581-07-3 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-(hexyloxy)benzoate (CAS 64581-07-3), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: (4-nitrophenyl) 4-hexoxybenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-(hexyloxy)benzoate
Property Insights of 4-Nitrophenyl 4-(hexyloxy)benzoate
The XLogP value of 4.7731 indicates that 4-Nitrophenyl 4-(hexyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-(hexyloxy)benzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-(hexyloxy)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl 4-(hexyloxy)benzoate?
The CAS number of 4-Nitrophenyl 4-(hexyloxy)benzoate is 64581-07-3.
What is the molecular formula of 4-Nitrophenyl 4-(hexyloxy)benzoate?
The molecular formula of 4-Nitrophenyl 4-(hexyloxy)benzoate is C19H21NO5.
What is the molecular weight of 4-Nitrophenyl 4-(hexyloxy)benzoate?
The molecular weight of 4-Nitrophenyl 4-(hexyloxy)benzoate is 343.14 g/mol.
Where can I buy 4-Nitrophenyl 4-(hexyloxy)benzoate?
You can request a quote for 4-Nitrophenyl 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-Nitrophenyl 4-(hexyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-(hexyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.