4-Nitrophenyl 4-nonyloxybenzoate
TL;DR: 4-Nitrophenyl 4-nonyloxybenzoate (CAS 78901-50-5) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-nonoxybenzoate
Also Known As: (4-nitrophenyl) 4-nonoxybenzoate, 4-nitrophenyl 4-nonyloxybenzoate, 4-Nonyloxy-benzoic acid 4-nitro-phenyl ester, 4-NITROPHENYL 4-(NONYLOXY)BENZOATE, Benzoic acid, 4-(nonyloxy)-, 4-nitrophenyl ester
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 5.9434 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 740.52734 |
Chemical Identifiers
| CAS Number | 78901-50-5 |
|---|---|
| SMILES | CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-nonyloxybenzoate (CAS 78901-50-5), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: (4-nitrophenyl) 4-nonoxybenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-nonyloxybenzoate
Property Insights of 4-Nitrophenyl 4-nonyloxybenzoate
The XLogP value of 5.9434 indicates that 4-Nitrophenyl 4-nonyloxybenzoate 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-nonyloxybenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-nonyloxybenzoate 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-Nitrophenyl 4-nonyloxybenzoate?
The CAS number of 4-Nitrophenyl 4-nonyloxybenzoate is 78901-50-5.
What is the molecular formula of 4-Nitrophenyl 4-nonyloxybenzoate?
The molecular formula of 4-Nitrophenyl 4-nonyloxybenzoate is C22H27NO5.
What is the molecular weight of 4-Nitrophenyl 4-nonyloxybenzoate?
The molecular weight of 4-Nitrophenyl 4-nonyloxybenzoate is 385.19 g/mol.
Where can I buy 4-Nitrophenyl 4-nonyloxybenzoate?
You can request a quote for 4-Nitrophenyl 4-nonyloxybenzoate 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-nonyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-nonyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.