4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one
TL;DR: 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one (CAS 93211-49-5) is a chemical compound with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,7-dimethoxyphenothiazin-3-one
Also Known As: 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one, 4-bromo-2,7-dimethoxyphenothiazin-3-one, 3H-Phenothiazin-3-one, 4-bromo-2,7-dimethoxy-, 3h-phenothiazin-3-one,4-bromo-2,7-dimethoxy, RefChem:98045
| Molecular Formula | C14H10BrNO3S |
|---|---|
| Molecular Weight | 350.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.95648 |
| Heavy Atoms | 20 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 93211-49-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C3C=C(C(=O)C(=C3S2)Br)OC |
| InChIKey | YADZEEVOBOJZRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one (CAS 93211-49-5), with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol. IUPAC: 4-bromo-2,7-dimethoxyphenothiazin-3-one.
Chemical Property Profile of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one
Property Insights of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one
The XLogP value of 3.1 indicates that 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one. Following Lipinski's Rule of Five, 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one has 0 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 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one?
The CAS number of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one is 93211-49-5.
What is the molecular formula of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one?
The molecular formula of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one is C14H10BrNO3S.
What is the molecular weight of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one?
The molecular weight of 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one is 350.96 g/mol.
Where can I buy 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one?
You can request a quote for 4-Bromo-2,7-dimethoxy-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 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,7-dimethoxy-3H-phenothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.