4-Nitrophenyl 4-heptylbenzoate
TL;DR: 4-Nitrophenyl 4-heptylbenzoate (CAS 80292-12-2) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-heptylbenzoate
Also Known As: 4-nitrophenyl 4-heptylbenzoate, (4-nitrophenyl) 4-heptylbenzoate, VH01, Benzoic acid, 4-heptyl-, 4-nitrophenyl ester
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 5.3269 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 692.64105 |
Chemical Identifiers
| CAS Number | 80292-12-2 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-heptylbenzoate (CAS 80292-12-2), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: (4-nitrophenyl) 4-heptylbenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-heptylbenzoate
Property Insights of 4-Nitrophenyl 4-heptylbenzoate
The XLogP value of 5.3269 indicates that 4-Nitrophenyl 4-heptylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-heptylbenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-heptylbenzoate has 0 hydrogen bond donor(s) and 4 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-heptylbenzoate?
The CAS number of 4-Nitrophenyl 4-heptylbenzoate is 80292-12-2.
What is the molecular formula of 4-Nitrophenyl 4-heptylbenzoate?
The molecular formula of 4-Nitrophenyl 4-heptylbenzoate is C20H23NO4.
What is the molecular weight of 4-Nitrophenyl 4-heptylbenzoate?
The molecular weight of 4-Nitrophenyl 4-heptylbenzoate is 341.16 g/mol.
Where can I buy 4-Nitrophenyl 4-heptylbenzoate?
You can request a quote for 4-Nitrophenyl 4-heptylbenzoate 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-heptylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.