N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide (CAS 312500-80-4) is a chemical compound with molecular formula C13H10F6N2OS and molecular weight 356.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide, N-benzothiazol-2-yl-2,2-bis(trifluoromethyl)butanamide, A1899/0079722, N-(benzo[d]thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2,2-bis(trifluoromethyl)butanamide
| Molecular Formula | C13H10F6N2OS |
|---|---|
| Molecular Weight | 356.04 g/mol |
| LogP | 4.7558 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0418 |
| Heavy Atoms | 23 |
| Complexity | 674.0584 |
Chemical Identifiers
| CAS Number | 312500-80-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=CC=CC=C2S1)(C(F)(F)F)C(F)(F)F |
Product Overview
N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide (CAS 312500-80-4), with molecular formula C13H10F6N2OS and molecular weight 356.04 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
The XLogP value of 4.7558 indicates that N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide has 1 hydrogen bond donor(s) and 3 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 N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is 312500-80-4.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is C13H10F6N2OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide is 356.04 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.