2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
TL;DR: 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone (CAS 311329-30-3) is a chemical compound with molecular formula C21H14N2OS3 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone
Also Known As: 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone, BAS 00861738, BIM-0029142.P001, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone, 1,3-benzothiazol-2-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide
| Molecular Formula | C21H14N2OS3 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 6.2179 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.02682 |
| Heavy Atoms | 27 |
| Complexity | 1076.3528 |
Chemical Identifiers
| CAS Number | 311329-30-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
Product Overview
2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone (CAS 311329-30-3), with molecular formula C21H14N2OS3 and molecular weight 406.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone.
Chemical Property Profile of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
Property Insights of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
The XLogP value of 6.2179 indicates that 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone 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 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone?
The CAS number of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone is 311329-30-3.
What is the molecular formula of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone?
The molecular formula of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone is C21H14N2OS3.
What is the molecular weight of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone?
The molecular weight of 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone is 406.03 g/mol.
Where can I buy 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone?
You can request a quote for 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.