ChemDiv1_005261
TL;DR: ChemDiv1_005261 (CAS 396722-77-3) is a chemical compound with molecular formula C22H16ClN5O4S and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
Also Known As: ChemDiv1_005261, 3-(2-chlorophenyl)-5-methyl-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide, F0778-0285, 3-(2-chlorophenyl)-5-methyl-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
| Molecular Formula | C22H16ClN5O4S |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 5.39642 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.06116 |
| Heavy Atoms | 33 |
| Complexity | 1396.5396 |
Chemical Identifiers
| CAS Number | 396722-77-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4CSCC4=NN3C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_005261 (CAS 396722-77-3), with molecular formula C22H16ClN5O4S and molecular weight 481.06 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of ChemDiv1_005261
Property Insights of ChemDiv1_005261
The XLogP value of 5.39642 indicates that ChemDiv1_005261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005261. Following Lipinski's Rule of Five, ChemDiv1_005261 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_005261?
The CAS number of ChemDiv1_005261 is 396722-77-3.
What is the molecular formula of ChemDiv1_005261?
The molecular formula of ChemDiv1_005261 is C22H16ClN5O4S.
What is the molecular weight of ChemDiv1_005261?
The molecular weight of ChemDiv1_005261 is 481.06 g/mol.
Where can I buy ChemDiv1_005261?
You can request a quote for ChemDiv1_005261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005261?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.