CTK4B9477
TL;DR: CTK4B9477 (CAS 134880-90-3) is a chemical compound with molecular formula C14H5ClF9IN2OS and molecular weight 581.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide
Also Known As: N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide, N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide
| Molecular Formula | C14H5ClF9IN2OS |
|---|---|
| Molecular Weight | 581.87 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 581.8712 |
| Heavy Atoms | 29 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 134880-90-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N(CI)C2=NC(=C(S2)Cl)C(F)(F)F |
| InChIKey | LVJBILLXLPQTEP-UHFFFAOYSA-N |
Product Overview
CTK4B9477 (CAS 134880-90-3), with molecular formula C14H5ClF9IN2OS and molecular weight 581.87 g/mol. IUPAC: N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide.
Chemical Property Profile of CTK4B9477
Property Insights of CTK4B9477
The XLogP value of 6.7 indicates that CTK4B9477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4B9477. Following Lipinski's Rule of Five, CTK4B9477 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4B9477?
The CAS number of CTK4B9477 is 134880-90-3.
What is the molecular formula of CTK4B9477?
The molecular formula of CTK4B9477 is C14H5ClF9IN2OS.
What is the molecular weight of CTK4B9477?
The molecular weight of CTK4B9477 is 581.87 g/mol.
Where can I buy CTK4B9477?
You can request a quote for CTK4B9477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4B9477?
Yes, KEHONG BIO provides custom synthesis services for CTK4B9477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.