ChemDiv1_002692
TL;DR: ChemDiv1_002692 (CAS 4610-42-8) is a chemical compound with molecular formula C21H11BrFN3O2S and molecular weight 466.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile
Also Known As: ChemDiv1_002692, 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile, 2-[4-(6-Bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile
| Molecular Formula | C21H11BrFN3O2S |
|---|---|
| Molecular Weight | 466.97 g/mol |
| LogP | 5.79468 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.97394 |
| Heavy Atoms | 29 |
| Complexity | 1336.7928 |
Chemical Identifiers
| CAS Number | 4610-42-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)F |
Product Overview
ChemDiv1_002692 (CAS 4610-42-8), with molecular formula C21H11BrFN3O2S and molecular weight 466.97 g/mol. IUPAC: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-fluoroanilino)prop-2-enenitrile.
Chemical Property Profile of ChemDiv1_002692
Property Insights of ChemDiv1_002692
The XLogP value of 5.79468 indicates that ChemDiv1_002692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002692. Following Lipinski's Rule of Five, ChemDiv1_002692 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002692?
The CAS number of ChemDiv1_002692 is 4610-42-8.
What is the molecular formula of ChemDiv1_002692?
The molecular formula of ChemDiv1_002692 is C21H11BrFN3O2S.
What is the molecular weight of ChemDiv1_002692?
The molecular weight of ChemDiv1_002692 is 466.97 g/mol.
Where can I buy ChemDiv1_002692?
You can request a quote for ChemDiv1_002692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002692?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.