ChemDiv3_005341
TL;DR: ChemDiv3_005341 (CAS 618391-40-5) is a chemical compound with molecular formula C22H13F3N2O2S and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
Also Known As: ChemDiv3_005341, IDI1_023251, 3-{2-[3-(trifluoromethyl)benzyl]imidazo[2,1-b][1,3]thiazol-6-yl}-2H-chromen-2-one, 3-(2-(3-(trifluoromethyl)benzyl)imidazo[2,1-b]thiazol-6-yl)-2H-chromen-2-one, 3-(2-{[3-(trifluoromethyl)phenyl]methyl}imidazo[2,1-b]1,3-thiazolin-6-yl)chrom en-2-one
| Molecular Formula | C22H13F3N2O2S |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 5.7788 |
| Topological Polar Surface Area | 47.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.06497 |
| Heavy Atoms | 30 |
| Complexity | 1414.855 |
Chemical Identifiers
| CAS Number | 618391-40-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC(=CC=C5)C(F)(F)F |
Product Overview
ChemDiv3_005341 (CAS 618391-40-5), with molecular formula C22H13F3N2O2S and molecular weight 426.06 g/mol. IUPAC: 3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one.
Chemical Property Profile of ChemDiv3_005341
Property Insights of ChemDiv3_005341
The XLogP value of 5.7788 indicates that ChemDiv3_005341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.51 Ų, ChemDiv3_005341 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005341 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005341?
The CAS number of ChemDiv3_005341 is 618391-40-5.
What is the molecular formula of ChemDiv3_005341?
The molecular formula of ChemDiv3_005341 is C22H13F3N2O2S.
What is the molecular weight of ChemDiv3_005341?
The molecular weight of ChemDiv3_005341 is 426.06 g/mol.
Where can I buy ChemDiv3_005341?
You can request a quote for ChemDiv3_005341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005341?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.