![7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate structure](/static/products/6944/694461-66-0.webp)
7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate
TL;DR: 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate (CAS 694461-66-0) is a chemical compound with molecular formula C15H11BrO2S and molecular weight 333.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-bromo-3-methyl-2-thiatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-4-yl) acetate
Also Known As: 7-bromo-2-methylbenzo[de]thiochromen-3-yl acetate
| Molecular Formula | C15H11BrO2S |
|---|---|
| Molecular Weight | 333.97 g/mol |
| LogP | 4.9596 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.9663 |
| Heavy Atoms | 19 |
| Complexity | 734.24817 |
Chemical Identifiers
| CAS Number | 694461-66-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC3=C(C=CC(=C32)S1)Br)OC(=O)C |
Product Overview
7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate (CAS 694461-66-0), with molecular formula C15H11BrO2S and molecular weight 333.97 g/mol. IUPAC: (10-bromo-3-methyl-2-thiatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-4-yl) acetate.
Chemical Property Profile of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate
Property Insights of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate
The XLogP value of 4.9596 indicates that 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate 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 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate?
The CAS number of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate is 694461-66-0.
What is the molecular formula of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate?
The molecular formula of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate is C15H11BrO2S.
What is the molecular weight of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate?
The molecular weight of 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate is 333.97 g/mol.
Where can I buy 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate?
You can request a quote for 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-2-methylbenzo[de]thiochromen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.