ChemDiv1_028721
TL;DR: ChemDiv1_028721 (CAS 314039-97-9) is a chemical compound with molecular formula C18H13F3N2OS3 and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
Also Known As: ChemDiv1_028721, BAS 01174027, AB00099962-01, AJ-292/13093064, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethanone
| Molecular Formula | C18H13F3N2OS3 |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 5.6707 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.01422 |
| Heavy Atoms | 27 |
| Complexity | 930.3081 |
Chemical Identifiers
| CAS Number | 314039-97-9 |
|---|---|
| SMILES | C1CSC(=N1)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F |
Product Overview
ChemDiv1_028721 (CAS 314039-97-9), with molecular formula C18H13F3N2OS3 and molecular weight 426.01 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.
Chemical Property Profile of ChemDiv1_028721
Property Insights of ChemDiv1_028721
The XLogP value of 5.6707 indicates that ChemDiv1_028721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv1_028721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028721 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028721?
The CAS number of ChemDiv1_028721 is 314039-97-9.
What is the molecular formula of ChemDiv1_028721?
The molecular formula of ChemDiv1_028721 is C18H13F3N2OS3.
What is the molecular weight of ChemDiv1_028721?
The molecular weight of ChemDiv1_028721 is 426.01 g/mol.
Where can I buy ChemDiv1_028721?
You can request a quote for ChemDiv1_028721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028721?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.