ChemDiv1_005177
TL;DR: ChemDiv1_005177 (CAS 396723-06-1) is a chemical compound with molecular formula C22H23N5O5S2 and molecular weight 501.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_005177, F0778-0315, 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-(N,N-diethylsulfamoyl)-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C22H23N5O5S2 |
|---|---|
| Molecular Weight | 501.11 g/mol |
| LogP | 3.8101 |
| Topological Polar Surface Area | 127.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.11407 |
| Heavy Atoms | 34 |
| Complexity | 1331.2549 |
Chemical Identifiers
| CAS Number | 396723-06-1 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_005177 (CAS 396723-06-1), with molecular formula C22H23N5O5S2 and molecular weight 501.11 g/mol. IUPAC: 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_005177
Property Insights of ChemDiv1_005177
The XLogP value of 3.8101 indicates that ChemDiv1_005177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005177. Following Lipinski's Rule of Five, ChemDiv1_005177 has 1 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 ChemDiv1_005177?
The CAS number of ChemDiv1_005177 is 396723-06-1.
What is the molecular formula of ChemDiv1_005177?
The molecular formula of ChemDiv1_005177 is C22H23N5O5S2.
What is the molecular weight of ChemDiv1_005177?
The molecular weight of ChemDiv1_005177 is 501.11 g/mol.
Where can I buy ChemDiv1_005177?
You can request a quote for ChemDiv1_005177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005177?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.