2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate
TL;DR: 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate (CAS 22921-76-2) is a chemical compound with molecular formula C23H27NO7 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate
Also Known As: 2-Methyl-butan-sulfonsaeure-(4)-chlorid, 2-(2,3,4-trimethoxyphenyl)cycloheptyl 4-nitrobenzoate, [2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate, Cycloheptanol,2-(2,3,4-trimethoxyphenyl)-, p-nitrobenzoate, trans- (8CI)
| Molecular Formula | C23H27NO7 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.17874 |
| Heavy Atoms | 31 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 22921-76-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2CCCCCC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC |
| InChIKey | MAFBUJOWFLDDIH-UHFFFAOYSA-N |
Product Overview
2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate (CAS 22921-76-2), with molecular formula C23H27NO7 and molecular weight 429.18 g/mol. IUPAC: [2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-nitrobenzoate.
Chemical Property Profile of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate
Property Insights of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate
The XLogP value of 5.3 indicates that 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate?
The CAS number of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate is 22921-76-2.
What is the molecular formula of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate?
The molecular formula of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate is C23H27NO7.
What is the molecular weight of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate?
The molecular weight of 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate is 429.18 g/mol.
Where can I buy 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate?
You can request a quote for 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3,4-Trimethoxyphenyl)cycloheptyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.