CBKinase1_000836
TL;DR: CBKinase1_000836 (CAS 353774-53-5) is a chemical compound with molecular formula C16H10ClF3N2OS2 and molecular weight 401.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_000836, CBKinase1_013236, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, BRD-K18211257-001-01-6, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-N~1~-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
| Molecular Formula | C16H10ClF3N2OS2 |
|---|---|
| Molecular Weight | 401.99 g/mol |
| LogP | 5.6993 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.98752 |
| Heavy Atoms | 25 |
| Complexity | 894.12897 |
Chemical Identifiers
| CAS Number | 353774-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
CBKinase1_000836 (CAS 353774-53-5), with molecular formula C16H10ClF3N2OS2 and molecular weight 401.99 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_000836
Property Insights of CBKinase1_000836
The XLogP value of 5.6993 indicates that CBKinase1_000836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, CBKinase1_000836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_000836 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 CBKinase1_000836?
The CAS number of CBKinase1_000836 is 353774-53-5.
What is the molecular formula of CBKinase1_000836?
The molecular formula of CBKinase1_000836 is C16H10ClF3N2OS2.
What is the molecular weight of CBKinase1_000836?
The molecular weight of CBKinase1_000836 is 401.99 g/mol.
Where can I buy CBKinase1_000836?
You can request a quote for CBKinase1_000836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000836?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.