3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione
TL;DR: 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione (CAS 6486-67-5) is a chemical compound with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-chloro-10H-phenothiazine-1,4-dione
Also Known As: Antinolo Brown 2G, C.I.Vat Brown 37, 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione, 3-anilino-2-chloro-10H-phenothiazine-1,4-dione, 3-anilino-2-chloro-1H-phenothiazine-1,4 -dione
| Molecular Formula | C18H11ClN2O2S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02298 |
| Heavy Atoms | 24 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 6486-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)SC4=CC=CC=C4N3)Cl |
| InChIKey | DWKLDMUHZDDXTN-UHFFFAOYSA-N |
Product Overview
3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione (CAS 6486-67-5), with molecular formula C18H11ClN2O2S and molecular weight 354.02 g/mol. IUPAC: 3-anilino-2-chloro-10H-phenothiazine-1,4-dione.
Chemical Property Profile of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione
Property Insights of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione
The XLogP value of 4.7 indicates that 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione. Following Lipinski's Rule of Five, 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione has 2 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 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione?
The CAS number of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione is 6486-67-5.
What is the molecular formula of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione?
The molecular formula of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione is C18H11ClN2O2S.
What is the molecular weight of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione?
The molecular weight of 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione is 354.02 g/mol.
Where can I buy 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione?
You can request a quote for 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.