3-Bromothiochroman-4-one
TL;DR: 3-Bromothiochroman-4-one (CAS 22366-66-1) is a chemical compound with molecular formula C9H7BrOS and molecular weight 241.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,3-dihydrothiochromen-4-one
Also Known As: 3-bromothiochroman-4-one, 3-Brom-thiobenzamid, 3-bromo-2,3-dihydrothiochromen-4-one, 3-bromo-2H,3H-benzo[e]thiin-4-one, 3-bromo-2,3-dihydro-4H-thiochromen-4-one
| Molecular Formula | C9H7BrOS |
|---|---|
| Molecular Weight | 241.94 g/mol |
| LogP | 2.7385 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.9401 |
| Heavy Atoms | 12 |
| Complexity | 324.0595 |
Chemical Identifiers
| CAS Number | 22366-66-1 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2S1)Br |
Product Overview
3-Bromothiochroman-4-one (CAS 22366-66-1), with molecular formula C9H7BrOS and molecular weight 241.94 g/mol. IUPAC: 3-bromo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 3-Bromothiochroman-4-one
Property Insights of 3-Bromothiochroman-4-one
The XLogP value of 2.7385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromothiochroman-4-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromothiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromothiochroman-4-one 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 3-Bromothiochroman-4-one?
The CAS number of 3-Bromothiochroman-4-one is 22366-66-1.
What is the molecular formula of 3-Bromothiochroman-4-one?
The molecular formula of 3-Bromothiochroman-4-one is C9H7BrOS.
What is the molecular weight of 3-Bromothiochroman-4-one?
The molecular weight of 3-Bromothiochroman-4-one is 241.94 g/mol.
Where can I buy 3-Bromothiochroman-4-one?
You can request a quote for 3-Bromothiochroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromothiochroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromothiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.