2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine
TL;DR: 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine (CAS 885458-06-0) is a chemical compound with molecular formula C19H18F3N3S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)aniline
Also Known As: 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine, 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)aniline, 2-[4-(2-Benzothiazolyl)-1-piperidinyl]-5-(trifluoromethyl)benzenamine
| Molecular Formula | C19H18F3N3S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 5.2813 |
| Topological Polar Surface Area | 42.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.11734 |
| Heavy Atoms | 26 |
| Complexity | 894.1692 |
Chemical Identifiers
| CAS Number | 885458-06-0 |
|---|---|
| SMILES | C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)C(F)(F)F)N |
Product Overview
2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine (CAS 885458-06-0), with molecular formula C19H18F3N3S and molecular weight 377.12 g/mol. IUPAC: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine
Property Insights of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine
The XLogP value of 5.2813 indicates that 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.15 Ų, 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine?
The CAS number of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine is 885458-06-0.
What is the molecular formula of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine?
The molecular formula of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine is C19H18F3N3S.
What is the molecular weight of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine?
The molecular weight of 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine is 377.12 g/mol.
Where can I buy 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine?
You can request a quote for 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzothiazol-2-yl-piperidin-1-yl)-5-trifluoromethyl-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.