4-Bromophenoxathiine
TL;DR: 4-Bromophenoxathiine (CAS 105906-37-4) is a chemical compound with molecular formula C12H7BrOS and molecular weight 277.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromophenoxathiine
Also Known As: 4-bromophenoxathiine, 4-Bromophenoxathiin, starbld0007898
| Molecular Formula | C12H7BrOS |
|---|---|
| Molecular Weight | 277.94 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.9401 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 105906-37-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=C(S2)C=CC=C3Br |
| InChIKey | NHJWHMOGDXCNDC-UHFFFAOYSA-N |
Product Overview
4-Bromophenoxathiine (CAS 105906-37-4), with molecular formula C12H7BrOS and molecular weight 277.94 g/mol. IUPAC: 4-bromophenoxathiine.
Chemical Property Profile of 4-Bromophenoxathiine
Property Insights of 4-Bromophenoxathiine
The XLogP value of 4.3 indicates that 4-Bromophenoxathiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 4-Bromophenoxathiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenoxathiine has 0 hydrogen bond donor(s) and 2 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-Bromophenoxathiine?
The CAS number of 4-Bromophenoxathiine is 105906-37-4.
What is the molecular formula of 4-Bromophenoxathiine?
The molecular formula of 4-Bromophenoxathiine is C12H7BrOS.
What is the molecular weight of 4-Bromophenoxathiine?
The molecular weight of 4-Bromophenoxathiine is 277.94 g/mol.
Where can I buy 4-Bromophenoxathiine?
You can request a quote for 4-Bromophenoxathiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenoxathiine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenoxathiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.