DivK1c_005132
TL;DR: DivK1c_005132 (CAS 190653-64-6) is a chemical compound with molecular formula C22H15BrN4O3S2 and molecular weight 525.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: DivK1c_005132, CDS1_004092, BAS 00564786, BIM-0017569.P001, (3E)-5-bromo-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C22H15BrN4O3S2 |
|---|---|
| Molecular Weight | 525.98 g/mol |
| LogP | 2.89301 |
| Topological Polar Surface Area | 81.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.9769 |
| Heavy Atoms | 32 |
| Complexity | 1676.8826 |
Chemical Identifiers
| CAS Number | 190653-64-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=C(SC3=S)C4=C5C=C(C=CC5=NC4=O)Br)O |
Product Overview
DivK1c_005132 (CAS 190653-64-6), with molecular formula C22H15BrN4O3S2 and molecular weight 525.98 g/mol. IUPAC: 5-bromo-3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of DivK1c_005132
Property Insights of DivK1c_005132
The XLogP value of 2.89301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DivK1c_005132. The TPSA of 81.52 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005132. Following Lipinski's Rule of Five, DivK1c_005132 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DivK1c_005132?
The CAS number of DivK1c_005132 is 190653-64-6.
What is the molecular formula of DivK1c_005132?
The molecular formula of DivK1c_005132 is C22H15BrN4O3S2.
What is the molecular weight of DivK1c_005132?
The molecular weight of DivK1c_005132 is 525.98 g/mol.
Where can I buy DivK1c_005132?
You can request a quote for DivK1c_005132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005132?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.