![N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide structure](/static/products/832/832124-61-5.png)
N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
TL;DR: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide (CAS 832124-61-5) is a chemical compound with molecular formula C22H21N5O5S and molecular weight 467.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
Also Known As: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide, N-[(2-methyl-1,3-dioxo-isoindol-5-yl)thiocarbamoyl]-3-nitro-4-(1-piperidyl)benzamide, N-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamothioyl]-3-nitro-4-(piperidin-1-yl)benzamide
| Molecular Formula | C22H21N5O5S |
|---|---|
| Molecular Weight | 467.13 g/mol |
| LogP | 2.9377 |
| Topological Polar Surface Area | 124.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.12634 |
| Heavy Atoms | 33 |
| Complexity | 1191.6942 |
Chemical Identifiers
| CAS Number | 832124-61-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-] |
Product Overview
N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide (CAS 832124-61-5), with molecular formula C22H21N5O5S and molecular weight 467.13 g/mol. IUPAC: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide.
Chemical Property Profile of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
Property Insights of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
The XLogP value of 2.9377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide. The TPSA of 124.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide has 2 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 N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide?
The CAS number of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide is 832124-61-5.
What is the molecular formula of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide?
The molecular formula of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide is C22H21N5O5S.
What is the molecular weight of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide?
The molecular weight of N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide is 467.13 g/mol.
Where can I buy N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide?
You can request a quote for N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.