ChemDiv1_014454
TL;DR: ChemDiv1_014454 (CAS 450336-63-7) is a chemical compound with molecular formula C22H23N5O7S2 and molecular weight 533.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014454, F0541-0681, 4-(N,N-diethylsulfamoyl)-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-(DIETHYLSULFAMOYL)-N-[2-(4-NITROPHENYL)-5,5-DIOXIDO-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-YL]BENZAMIDE
| Molecular Formula | C22H23N5O7S2 |
|---|---|
| Molecular Weight | 533.10 g/mol |
| LogP | 2.4917 |
| Topological Polar Surface Area | 161.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1039 |
| Heavy Atoms | 36 |
| Complexity | 1541.196 |
Chemical Identifiers
| CAS Number | 450336-63-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_014454 (CAS 450336-63-7), with molecular formula C22H23N5O7S2 and molecular weight 533.10 g/mol. IUPAC: 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014454
Property Insights of ChemDiv1_014454
The XLogP value of 2.4917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014454. The TPSA of 161.58 Ų indicates high polarity, suggesting ChemDiv1_014454 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014454 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014454?
The CAS number of ChemDiv1_014454 is 450336-63-7.
What is the molecular formula of ChemDiv1_014454?
The molecular formula of ChemDiv1_014454 is C22H23N5O7S2.
What is the molecular weight of ChemDiv1_014454?
The molecular weight of ChemDiv1_014454 is 533.10 g/mol.
Where can I buy ChemDiv1_014454?
You can request a quote for ChemDiv1_014454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.