1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one
TL;DR: 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one (CAS 85136-52-3) is a chemical compound with molecular formula C20H13Cl3N2OS and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-9-methyl-7-(4-methylanilino)phenothiazin-3-one
Also Known As: EINECS 285-776-0, 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one, 1,2,4-TRICHLORO-9-METHYL-7-[(P-TOLYL)AMINO]-3H-PHENOTHIAZIN-3-ONE, 1,2,4-trichloro-9-methyl-7-(4-methylanilino)phenothiazin-3-one, 1,2,4-Trichloro-9-methyl-7-(4-methylanilino)-3H-phenothiazin-3-one
| Molecular Formula | C20H13Cl3N2OS |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | 7.08194 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.9814 |
| Heavy Atoms | 27 |
| Complexity | 1218.9749 |
Chemical Identifiers
| CAS Number | 85136-52-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC3=C(C(=C2)C)N=C4C(=C(C(=O)C(=C4Cl)Cl)Cl)S3 |
Product Overview
1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one (CAS 85136-52-3), with molecular formula C20H13Cl3N2OS and molecular weight 433.98 g/mol. IUPAC: 1,2,4-trichloro-9-methyl-7-(4-methylanilino)phenothiazin-3-one.
Chemical Property Profile of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one
Property Insights of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one
The XLogP value of 7.08194 indicates that 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one has 1 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 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one?
The CAS number of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one is 85136-52-3.
What is the molecular formula of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one?
The molecular formula of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one is C20H13Cl3N2OS.
What is the molecular weight of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one?
The molecular weight of 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one is 433.98 g/mol.
Where can I buy 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one?
You can request a quote for 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-9-methyl-7-((p-tolyl)amino)-3H-phenothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.