RefChem:1090563
TL;DR: RefChem:1090563 (CAS 19422-09-4) is a chemical compound with molecular formula C16H21IN2S and molecular weight 400.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide
Also Known As: Benzothiazolium, 2-(p-(dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-, iodide, 2-(p-(Dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-benzothiazolium iodide, N,N-Dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-iminium iodide, N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide
Technical Specifications
| Molecular Formula | C16H21IN2S |
| Molecular Weight | 400.04703 g/mol |
| XLogP | 0.19 |
| Topological Polar Surface Area (TPSA) | 35.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.04703 Da |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
| SMILES | C[N+]1=C(SC2=C1CCCC2)C3=CC=C(C=C3)N(C)C.[I-] |
| InChIKey | AYWNCIZIGBPNSK-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:1090563
Property Insights of RefChem:1090563
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1090563. With a topological polar surface area (TPSA) of 35.4 Ų, RefChem:1090563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090563 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
What is the CAS number of RefChem:1090563?
The CAS number of RefChem:1090563 is 19422-09-4.
What is the molecular formula of RefChem:1090563?
The molecular formula of RefChem:1090563 is C16H21IN2S.
What is the molecular weight of RefChem:1090563?
The molecular weight of RefChem:1090563 is 400.04703 g/mol.
Where can I buy RefChem:1090563?
You can request a quote for RefChem:1090563 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1090563?
Yes, CoreyChem provides custom synthesis services for RefChem:1090563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.