RefChem:1099898
TL;DR: RefChem:1099898 (CAS 2232-13-5) is a chemical compound with molecular formula C14H21ClN2O4S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethyl-3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline perchlorate
Also Known As: 2-p-Dimethylaminophenyl-3-methyl-4-ethyl-2-thiazolinium perchlorate, 2-Thiazolinium, 2-(p-(dimethylamino)phenyl)-4-ethyl-3-methyl-, perchlorate, 2-[4-(dimethylamino)phenyl]-4-ethyl-3-methyl-4,5-dihydro-1,3-thiazol-3-ium perchlorate, 4-(4-ethyl-3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline perchlorate, Thiazolium, 2-(4-(dimethylamino)phenyl)-4-ethyl-4,5-dihydro-3-methyl-, perchlorate (1:1)
| Molecular Formula | C14H21ClN2O4S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | -2.0891 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.09106 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 2232-13-5 |
|---|---|
| SMILES | CCC1CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | NZIJWBMUOVTDNX-UHFFFAOYSA-M |
Product Overview
RefChem:1099898 (CAS 2232-13-5), with molecular formula C14H21ClN2O4S and molecular weight 348.09 g/mol. IUPAC: 4-(4-ethyl-3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline perchlorate.
Chemical Property Profile of RefChem:1099898
Property Insights of RefChem:1099898
The XLogP value of -2.0891 indicates that RefChem:1099898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099898. Following Lipinski's Rule of Five, RefChem:1099898 has 0 hydrogen bond donor(s) and 6 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 RefChem:1099898?
The CAS number of RefChem:1099898 is 2232-13-5.
What is the molecular formula of RefChem:1099898?
The molecular formula of RefChem:1099898 is C14H21ClN2O4S.
What is the molecular weight of RefChem:1099898?
The molecular weight of RefChem:1099898 is 348.09 g/mol.
Where can I buy RefChem:1099898?
You can request a quote for RefChem:1099898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.