2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate (CAS 324045-08-1) is a chemical compound with molecular formula C20H20N2O7S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
Also Known As: BAS 00791829, BIM-0028160.P001, [2-(3-nitrophenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate, 2-(3-nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate, 2-(3-nitrophenyl)-2-oxoethyl 4-(piperidylsulfonyl)benzoate
| Molecular Formula | C20H20N2O7S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 2.8091 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.09912 |
| Heavy Atoms | 30 |
| Complexity | 1058.8175 |
Chemical Identifiers
| CAS Number | 324045-08-1 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate (CAS 324045-08-1), with molecular formula C20H20N2O7S and molecular weight 432.10 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate
The XLogP value of 2.8091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 7 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 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate is 324045-08-1.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate is C20H20N2O7S.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate is 432.10 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl 4-(piperidin-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.