ChemDiv1_002047
TL;DR: ChemDiv1_002047 (CAS 301689-82-7) is a chemical compound with molecular formula C18H9BrClN3O3S2 and molecular weight 492.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-chlorobenzamide
Also Known As: ChemDiv1_002047, MixCom6_001900, BAS 00904391, BIM-0032310.P001, AB00096335-01
| Molecular Formula | C18H9BrClN3O3S2 |
|---|---|
| Molecular Weight | 492.90 g/mol |
| LogP | 3.14329 |
| Topological Polar Surface Area | 83.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.89572 |
| Heavy Atoms | 28 |
| Complexity | 1346.8362 |
Chemical Identifiers
| CAS Number | 301689-82-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NN2C(=C(SC2=S)C3=C4C=C(C=CC4=NC3=O)Br)O)Cl |
Product Overview
ChemDiv1_002047 (CAS 301689-82-7), with molecular formula C18H9BrClN3O3S2 and molecular weight 492.90 g/mol. IUPAC: N-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-chlorobenzamide.
Chemical Property Profile of ChemDiv1_002047
Property Insights of ChemDiv1_002047
The XLogP value of 3.14329 indicates that ChemDiv1_002047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002047. Following Lipinski's Rule of Five, ChemDiv1_002047 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_002047?
The CAS number of ChemDiv1_002047 is 301689-82-7.
What is the molecular formula of ChemDiv1_002047?
The molecular formula of ChemDiv1_002047 is C18H9BrClN3O3S2.
What is the molecular weight of ChemDiv1_002047?
The molecular weight of ChemDiv1_002047 is 492.90 g/mol.
Where can I buy ChemDiv1_002047?
You can request a quote for ChemDiv1_002047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002047?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.