![Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide structure](/static/products/895/89542-63-2.png)
Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide
TL;DR: Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide (CAS 89542-63-2) is a chemical compound with molecular formula C15H13BrFNS and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide
Also Known As: Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide, 3-[(3-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium;bromide, 3-[(3-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide, 3-[(3-fluorophenyl)methyl]-6-methyl-benzothiazole Bromide
| Molecular Formula | C15H13BrFNS |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | 0.68862 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.99362 |
| Heavy Atoms | 19 |
| Complexity | 708.187 |
Chemical Identifiers
| CAS Number | 89542-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC(=CC=C3)F.[Br-] |
Product Overview
Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide (CAS 89542-63-2), with molecular formula C15H13BrFNS and molecular weight 336.99 g/mol. IUPAC: 3-[(3-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide
Property Insights of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide
The XLogP value of 0.68862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide. With a topological polar surface area (TPSA) of 3.88 Ų, Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide has 0 hydrogen bond donor(s) and 1 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 Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide?
The CAS number of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide is 89542-63-2.
What is the molecular formula of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide?
The molecular formula of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide is C15H13BrFNS.
What is the molecular weight of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide?
The molecular weight of Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide is 336.99 g/mol.
Where can I buy Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide?
You can request a quote for Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-[(3-fluorophenyl)methyl]-6-methyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.