![1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid structure](/static/products/860/860612-06-2.png)
1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
TL;DR: 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid (CAS 860612-06-2) is a chemical compound with molecular formula C20H20N4O8S and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid
Also Known As: 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid, 1-[4-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid
| Molecular Formula | C20H20N4O8S |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 2.2548 |
| Topological Polar Surface Area | 160.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.1002 |
| Heavy Atoms | 33 |
| Complexity | 1222.5657 |
Chemical Identifiers
| CAS Number | 860612-06-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] |
Product Overview
1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid (CAS 860612-06-2), with molecular formula C20H20N4O8S and molecular weight 476.10 g/mol. IUPAC: 1-[4-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
Property Insights of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid
The XLogP value of 2.2548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid. The TPSA of 160.67 Ų indicates high polarity, suggesting 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid has 2 hydrogen bond donor(s) and 9 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 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The CAS number of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is 860612-06-2.
What is the molecular formula of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The molecular formula of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is C20H20N4O8S.
What is the molecular weight of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
The molecular weight of 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid is 476.10 g/mol.
Where can I buy 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
You can request a quote for 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-{2-[(E)-1,3-benzodioxol-5-ylmethylidene]hydrazino}-3-nitrophenyl)sulfonyl]-4-piperidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.