ChemDiv1_005219
TL;DR: ChemDiv1_005219 (CAS 396722-91-1) is a chemical compound with molecular formula C22H21N5O6S2 and molecular weight 515.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylsulfonyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_005219, F0778-0297, 4-(morpholine-4-sulfonyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-morpholin-4-ylsulfonyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-(morpholinosulfonyl)-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
| Molecular Formula | C22H21N5O6S2 |
|---|---|
| Molecular Weight | 515.09 g/mol |
| LogP | 2.8005 |
| Topological Polar Surface Area | 136.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.0933 |
| Heavy Atoms | 35 |
| Complexity | 1380.9396 |
Chemical Identifiers
| CAS Number | 396722-91-1 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4CSCC4=NN3C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_005219 (CAS 396722-91-1), with molecular formula C22H21N5O6S2 and molecular weight 515.09 g/mol. IUPAC: 4-morpholin-4-ylsulfonyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_005219
Property Insights of ChemDiv1_005219
The XLogP value of 2.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005219. The TPSA of 136.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005219. Following Lipinski's Rule of Five, ChemDiv1_005219 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_005219?
The CAS number of ChemDiv1_005219 is 396722-91-1.
What is the molecular formula of ChemDiv1_005219?
The molecular formula of ChemDiv1_005219 is C22H21N5O6S2.
What is the molecular weight of ChemDiv1_005219?
The molecular weight of ChemDiv1_005219 is 515.09 g/mol.
Where can I buy ChemDiv1_005219?
You can request a quote for ChemDiv1_005219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005219?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.