ChemDiv1_001528
TL;DR: ChemDiv1_001528 (CAS 301309-41-1) is a chemical compound with molecular formula C18H11BrN2O3S and molecular weight 413.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
Also Known As: ChemDiv1_001528, (5Z)-3-benzyl-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1,3-thiazolidine-2,4-dione, (Z)-3-benzyl-5-(5-bromo-2-oxoindolin-3-ylidene)thiazolidine-2,4-dione, (5E)-3-benzyl-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidine-2,4-dione, (5Z)-3-benzyl-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H11BrN2O3S |
|---|---|
| Molecular Weight | 413.97 g/mol |
| LogP | 1.785 |
| Topological Polar Surface Area | 71.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.96738 |
| Heavy Atoms | 25 |
| Complexity | 1179.2656 |
Chemical Identifiers
| CAS Number | 301309-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(SC2=O)C3=C4C=C(C=CC4=NC3=O)Br)O |
Product Overview
ChemDiv1_001528 (CAS 301309-41-1), with molecular formula C18H11BrN2O3S and molecular weight 413.97 g/mol. IUPAC: 3-benzyl-5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.
Chemical Property Profile of ChemDiv1_001528
Property Insights of ChemDiv1_001528
The XLogP value of 1.785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001528. The TPSA of 71.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001528. Following Lipinski's Rule of Five, ChemDiv1_001528 has 1 hydrogen bond donor(s) and 4 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_001528?
The CAS number of ChemDiv1_001528 is 301309-41-1.
What is the molecular formula of ChemDiv1_001528?
The molecular formula of ChemDiv1_001528 is C18H11BrN2O3S.
What is the molecular weight of ChemDiv1_001528?
The molecular weight of ChemDiv1_001528 is 413.97 g/mol.
Where can I buy ChemDiv1_001528?
You can request a quote for ChemDiv1_001528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001528?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.