![2-[Bromoacetyl]phenoxathiin structure](/static/products/6517/6517-30-2.webp)
2-[Bromoacetyl]phenoxathiin
TL;DR: 2-[Bromoacetyl]phenoxathiin (CAS 6517-30-2) is a chemical compound with molecular formula C14H9BrO2S and molecular weight 319.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-phenoxathiin-2-ylethanone
Also Known As: 2-[Bromoacetyl]phenoxathiin, 2-omega-bromoacetylphenoxathiin, 2-bromo-1-phenoxathiin-2-ylethanone, Ethanone, 2-bromo-1-(2-phenoxathiinyl)-, 2-Bromo-1-(2-phenoxathiinyl)ethanone #
| Molecular Formula | C14H9BrO2S |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.95065 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 6517-30-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)CBr |
| InChIKey | PHPREENNXYTOEE-UHFFFAOYSA-N |
Product Overview
2-[Bromoacetyl]phenoxathiin (CAS 6517-30-2), with molecular formula C14H9BrO2S and molecular weight 319.95 g/mol. IUPAC: 2-bromo-1-phenoxathiin-2-ylethanone.
Chemical Property Profile of 2-[Bromoacetyl]phenoxathiin
Property Insights of 2-[Bromoacetyl]phenoxathiin
The XLogP value of 5.0 indicates that 2-[Bromoacetyl]phenoxathiin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2-[Bromoacetyl]phenoxathiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Bromoacetyl]phenoxathiin 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-[Bromoacetyl]phenoxathiin?
The CAS number of 2-[Bromoacetyl]phenoxathiin is 6517-30-2.
What is the molecular formula of 2-[Bromoacetyl]phenoxathiin?
The molecular formula of 2-[Bromoacetyl]phenoxathiin is C14H9BrO2S.
What is the molecular weight of 2-[Bromoacetyl]phenoxathiin?
The molecular weight of 2-[Bromoacetyl]phenoxathiin is 319.95 g/mol.
Where can I buy 2-[Bromoacetyl]phenoxathiin?
You can request a quote for 2-[Bromoacetyl]phenoxathiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Bromoacetyl]phenoxathiin?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bromoacetyl]phenoxathiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.