2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
TL;DR: 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide (CAS 20077-15-0) is a chemical compound with molecular formula C13H7BrO3S and molecular weight 321.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-10,10-dioxothioxanthen-9-one
Also Known As: 2-bromo-10,10-dioxothioxanthen-9-one, 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide, 2-Bromo-9H-thioxanthene-9-one-10,10-dioxide, 2-Bromo-10,10-dioxo-thioxanthen-9-one, 2-bromo-10,10-dioxo-10lambda6-thioxanthen-9-one
| Molecular Formula | C13H7BrO3S |
|---|---|
| Molecular Weight | 321.93 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.92993 |
| Heavy Atoms | 18 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 20077-15-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)Br |
| InChIKey | PIPWXKDJFFRUES-UHFFFAOYSA-N |
Product Overview
2-Bromo-9H-thioxanthen-9-one 10,10-dioxide (CAS 20077-15-0), with molecular formula C13H7BrO3S and molecular weight 321.93 g/mol. IUPAC: 2-bromo-10,10-dioxothioxanthen-9-one.
Chemical Property Profile of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
Property Insights of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
The XLogP value of 3.9 indicates that 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide has 0 hydrogen bond donor(s) and 3 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 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide?
The CAS number of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide is 20077-15-0.
What is the molecular formula of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide?
The molecular formula of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide is C13H7BrO3S.
What is the molecular weight of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide?
The molecular weight of 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide is 321.93 g/mol.
Where can I buy 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide?
You can request a quote for 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.