![2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one structure](/static/products/1114/111428-56-9.webp)
2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one
TL;DR: 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one (CAS 111428-56-9) 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.
5-bromo-8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Also Known As: Ketotifen Impurity 23, 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one, AE-641/14965100, 2-bromo-4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-one, 2-bromo-10-methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
| Molecular Formula | C14H9BrO2S |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 4.1858 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.95065 |
| Heavy Atoms | 18 |
| Complexity | 807.8479 |
Chemical Identifiers
| CAS Number | 111428-56-9 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C(=O)C3=C1SC(=C3)Br |
Product Overview
2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one (CAS 111428-56-9), with molecular formula C14H9BrO2S and molecular weight 319.95 g/mol. IUPAC: 5-bromo-8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one.
Chemical Property Profile of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one
Property Insights of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one
The XLogP value of 4.1858 indicates that 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one 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-10-methoxy-1-thiabenzo[f]azulen-4-one?
The CAS number of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one is 111428-56-9.
What is the molecular formula of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one?
The molecular formula of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one is C14H9BrO2S.
What is the molecular weight of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one?
The molecular weight of 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one is 319.95 g/mol.
Where can I buy 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one?
You can request a quote for 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-10-methoxy-1-thiabenzo[f]azulen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.