4-Nitrophenyl 4-pentyloxybenzoate
TL;DR: 4-Nitrophenyl 4-pentyloxybenzoate (CAS 50649-77-9) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-pentoxybenzoate
Also Known As: (4-nitrophenyl) 4-pentoxybenzoate, 4-nitrophenyl 4-pentyloxybenzoate, 4-Nitrophenyl-4'-pentyloxybenzoat, 4-Pentyloxy-benzoic acid 4-nitro-phenyl ester, 4-NITROPHENYL 4-(PENTYLOXY)BENZOATE
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 4.383 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 679.56024 |
Chemical Identifiers
| CAS Number | 50649-77-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-pentyloxybenzoate (CAS 50649-77-9), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: (4-nitrophenyl) 4-pentoxybenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-pentyloxybenzoate
Property Insights of 4-Nitrophenyl 4-pentyloxybenzoate
The XLogP value of 4.383 indicates that 4-Nitrophenyl 4-pentyloxybenzoate 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-pentyloxybenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-pentyloxybenzoate 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-pentyloxybenzoate?
The CAS number of 4-Nitrophenyl 4-pentyloxybenzoate is 50649-77-9.
What is the molecular formula of 4-Nitrophenyl 4-pentyloxybenzoate?
The molecular formula of 4-Nitrophenyl 4-pentyloxybenzoate is C18H19NO5.
What is the molecular weight of 4-Nitrophenyl 4-pentyloxybenzoate?
The molecular weight of 4-Nitrophenyl 4-pentyloxybenzoate is 329.13 g/mol.
Where can I buy 4-Nitrophenyl 4-pentyloxybenzoate?
You can request a quote for 4-Nitrophenyl 4-pentyloxybenzoate 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-pentyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-pentyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.