1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
TL;DR: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone (CAS 337491-27-7) is a chemical compound with molecular formula C16H11ClN4OS2 and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenothiazin-10-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: BAS 01291351, BIM-0048610.P001, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 1-(2-chlorophenothiazin-10-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 2-(4H-1,2,4-triazol-3-ylthio)-1-(2-chlorophenothiazin-10-yl)ethan-1-one
| Molecular Formula | C16H11ClN4OS2 |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.3797 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0063 |
| Heavy Atoms | 24 |
| Complexity | 900.8529 |
Chemical Identifiers
| CAS Number | 337491-27-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC=NN4 |
Product Overview
1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone (CAS 337491-27-7), with molecular formula C16H11ClN4OS2 and molecular weight 374.01 g/mol. IUPAC: 1-(2-chlorophenothiazin-10-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
Property Insights of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
The XLogP value of 4.3797 indicates that 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The CAS number of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is 337491-27-7.
What is the molecular formula of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular formula of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is C16H11ClN4OS2.
What is the molecular weight of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular weight of 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is 374.01 g/mol.
Where can I buy 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
You can request a quote for 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.