3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide
TL;DR: 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide (CAS 63703-02-6) is a chemical compound with molecular formula C15H14BrNS and molecular weight 319.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide
Also Known As: 3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide, 3-benzyl-6-methyl-1,3-benzothiazol-3-ium;bromide, Benzothiazolium, 6-methyl-3-(phenylmethyl)-, bromide, 3-benzyl-6-methyl-1,3-benzothiazol-3-ium,bromide
| Molecular Formula | C15H14BrNS |
|---|---|
| Molecular Weight | 319.00 g/mol |
| LogP | 0.54952 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.00302 |
| Heavy Atoms | 18 |
| Complexity | 645.9073 |
Chemical Identifiers
| CAS Number | 63703-02-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=CC=C3.[Br-] |
Product Overview
3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide (CAS 63703-02-6), with molecular formula C15H14BrNS and molecular weight 319.00 g/mol. IUPAC: 3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide
Property Insights of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide
The XLogP value of 0.54952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide. With a topological polar surface area (TPSA) of 3.88 Ų, 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium 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 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide?
The CAS number of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide is 63703-02-6.
What is the molecular formula of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide?
The molecular formula of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide is C15H14BrNS.
What is the molecular weight of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide?
The molecular weight of 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide is 319.00 g/mol.
Where can I buy 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide?
You can request a quote for 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.