CBKinase1_003582
TL;DR: CBKinase1_003582 (CAS 617697-41-3) is a chemical compound with molecular formula C21H16F3N3O2S2 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: CBKinase1_003582, CBKinase1_015982, BRD-K12758134-001-01-1, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide, 2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C21H16F3N3O2S2 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 5.83008 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.0636 |
| Heavy Atoms | 31 |
| Complexity | 1092.7931 |
Chemical Identifiers
| CAS Number | 617697-41-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
CBKinase1_003582 (CAS 617697-41-3), with molecular formula C21H16F3N3O2S2 and molecular weight 463.06 g/mol. IUPAC: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_003582
Property Insights of CBKinase1_003582
The XLogP value of 5.83008 indicates that CBKinase1_003582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003582. Following Lipinski's Rule of Five, CBKinase1_003582 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003582?
The CAS number of CBKinase1_003582 is 617697-41-3.
What is the molecular formula of CBKinase1_003582?
The molecular formula of CBKinase1_003582 is C21H16F3N3O2S2.
What is the molecular weight of CBKinase1_003582?
The molecular weight of CBKinase1_003582 is 463.06 g/mol.
Where can I buy CBKinase1_003582?
You can request a quote for CBKinase1_003582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003582?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.