2-Benzothiazolamine,6-octyl
TL;DR: 2-Benzothiazolamine,6-octyl (CAS 113120-63-1) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3-imino-6-(4-methylphenyl)pyrazine-2-carboxylate
Also Known As: 2-Benzothiazolamine,6-octyl, ethyl 4-hydroxy-3-imino-6-(4-methylphenyl)pyrazine-2-carboxylate, 2-Pyrazinecarboxylicacid, 3-amino-6-(4-methylphenyl)-, ethyl ester, 4-oxide, 3-Amino-6-(4-methylphenyl)pyrazinecarboxylicacidethylester-4-oxide, ethyl 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylate 4-oxide
Technical Specifications
| Molecular Formula | C14H15N3O3 |
| Molecular Weight | 273.11133 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.11133 Da |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
| SMILES | CCOC(=O)C1=NC(=CN(C1=N)O)C2=CC=C(C=C2)C |
| InChIKey | YUTZCXPIUHKIFH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzothiazolamine,6-octyl
Property Insights of 2-Benzothiazolamine,6-octyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolamine,6-octyl. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolamine,6-octyl. Following Lipinski's Rule of Five, 2-Benzothiazolamine,6-octyl has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzothiazolamine,6-octyl?
The CAS number of 2-Benzothiazolamine,6-octyl is 113120-63-1.
What is the molecular formula of 2-Benzothiazolamine,6-octyl?
The molecular formula of 2-Benzothiazolamine,6-octyl is C14H15N3O3.
What is the molecular weight of 2-Benzothiazolamine,6-octyl?
The molecular weight of 2-Benzothiazolamine,6-octyl is 273.11133 g/mol.
Where can I buy 2-Benzothiazolamine,6-octyl?
You can request a quote for 2-Benzothiazolamine,6-octyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzothiazolamine,6-octyl?
Yes, CoreyChem provides custom synthesis services for 2-Benzothiazolamine,6-octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.