1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide
TL;DR: 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide (CAS 40068-30-2) is a chemical compound with molecular formula C12H16BrNS and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide
Also Known As: 10-methyl-2,3,4,4a-tetrahydro-1h-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide, 4a-Methyl-1,2,3,4,4a,10-hexahydropyrido(2,1-b)benzothiazolyl bromide, 2,3,4,4a-Tetrahydro-10-methyl-1H-pyrido(2,1-b)benzothiazolium bromide, 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide, 5H-54,64,73,83,93,103,114,133-pentaoxola[2,1:3,4]bis(hexaoxine)-5-ol hydrate
| Molecular Formula | C12H16BrNS |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 0.2434 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.01868 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 40068-30-2 |
|---|---|
| SMILES | C[N+]12CCCCC1SC3=CC=CC=C23.[Br-] |
| InChIKey | SXQZOPFITHHPBN-UHFFFAOYSA-M |
Product Overview
1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide (CAS 40068-30-2), with molecular formula C12H16BrNS and molecular weight 285.02 g/mol. IUPAC: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide.
Chemical Property Profile of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide
Property Insights of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide
The XLogP value of 0.2434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide. With a topological polar surface area (TPSA) of 25.3 Ų, 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide 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 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide?
The CAS number of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide is 40068-30-2.
What is the molecular formula of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide?
The molecular formula of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide is C12H16BrNS.
What is the molecular weight of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide?
The molecular weight of 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide is 285.02 g/mol.
Where can I buy 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide?
You can request a quote for 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrido(2,1-b)benzothiazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.