ChemDiv1_004492
TL;DR: ChemDiv1_004492 (CAS 302805-97-6) is a chemical compound with molecular formula C19H14BrN3O2S and molecular weight 427.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[2-(2,3-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
Also Known As: ChemDiv1_004492, ChemDiv1_004848, (2Z,5Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-2-((2,3-dimethylphenyl)imino)thiazolidin-4-one, 5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-[(2,3-dimethylphenyl)imino]-1,3-thiazolan-4-one, 5-bromo-3-[2-[(2,3-dimethylphenyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C19H14BrN3O2S |
|---|---|
| Molecular Weight | 427.00 g/mol |
| LogP | 3.33044 |
| Topological Polar Surface Area | 74.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.99902 |
| Heavy Atoms | 26 |
| Complexity | 1183.9803 |
Chemical Identifiers
| CAS Number | 302805-97-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=NC(=C(S2)C3=C4C=C(C=CC4=NC3=O)Br)O)C |
Product Overview
ChemDiv1_004492 (CAS 302805-97-6), with molecular formula C19H14BrN3O2S and molecular weight 427.00 g/mol. IUPAC: 5-bromo-3-[2-(2,3-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of ChemDiv1_004492
Property Insights of ChemDiv1_004492
The XLogP value of 3.33044 indicates that ChemDiv1_004492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004492. Following Lipinski's Rule of Five, ChemDiv1_004492 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004492?
The CAS number of ChemDiv1_004492 is 302805-97-6.
What is the molecular formula of ChemDiv1_004492?
The molecular formula of ChemDiv1_004492 is C19H14BrN3O2S.
What is the molecular weight of ChemDiv1_004492?
The molecular weight of ChemDiv1_004492 is 427.00 g/mol.
Where can I buy ChemDiv1_004492?
You can request a quote for ChemDiv1_004492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004492?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.