ChemDiv1_022768
TL;DR: ChemDiv1_022768 (CAS 332019-43-9) is a chemical compound with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yloxy)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Also Known As: ChemDiv1_022768, DivK1c_004032, CDS1_002992, BAS 00801998, 2-(1,3-benzothiazol-2-yloxy)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
| Molecular Formula | C27H26N2O2S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 6.1966 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1715 |
| Heavy Atoms | 32 |
| Complexity | 1248.0757 |
Chemical Identifiers
| CAS Number | 332019-43-9 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC=C2N1C(=O)COC3=NC4=CC=CC=C4S3)(C)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_022768 (CAS 332019-43-9), with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yloxy)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
Chemical Property Profile of ChemDiv1_022768
Property Insights of ChemDiv1_022768
The XLogP value of 6.1966 indicates that ChemDiv1_022768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, ChemDiv1_022768 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022768 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 ChemDiv1_022768?
The CAS number of ChemDiv1_022768 is 332019-43-9.
What is the molecular formula of ChemDiv1_022768?
The molecular formula of ChemDiv1_022768 is C27H26N2O2S.
What is the molecular weight of ChemDiv1_022768?
The molecular weight of ChemDiv1_022768 is 442.17 g/mol.
Where can I buy ChemDiv1_022768?
You can request a quote for ChemDiv1_022768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022768?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.