4-Nitrophenyl 4-butoxybenzoate
TL;DR: 4-Nitrophenyl 4-butoxybenzoate (CAS 56240-75-6) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-butoxybenzoate
Also Known As: 4-nitrophenyl 4-butoxybenzoate, (4-nitrophenyl) 4-butoxybenzoate, 4-Nitrophenyl-4'-butoxybenzoat, 4-Butoxybenzoic acid 4-nitrophenyl ester, 4-Butoxy-benzoic acid 4-nitro-phenyl ester
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.9929 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 664.388 |
Chemical Identifiers
| CAS Number | 56240-75-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-butoxybenzoate (CAS 56240-75-6), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: (4-nitrophenyl) 4-butoxybenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-butoxybenzoate
Property Insights of 4-Nitrophenyl 4-butoxybenzoate
The XLogP value of 3.9929 indicates that 4-Nitrophenyl 4-butoxybenzoate 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-butoxybenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-butoxybenzoate 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-butoxybenzoate?
The CAS number of 4-Nitrophenyl 4-butoxybenzoate is 56240-75-6.
What is the molecular formula of 4-Nitrophenyl 4-butoxybenzoate?
The molecular formula of 4-Nitrophenyl 4-butoxybenzoate is C17H17NO5.
What is the molecular weight of 4-Nitrophenyl 4-butoxybenzoate?
The molecular weight of 4-Nitrophenyl 4-butoxybenzoate is 315.11 g/mol.
Where can I buy 4-Nitrophenyl 4-butoxybenzoate?
You can request a quote for 4-Nitrophenyl 4-butoxybenzoate 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-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.