CBKinase1_009137
TL;DR: CBKinase1_009137 (CAS 412922-96-4) is a chemical compound with molecular formula C23H19F3N4OS2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
Also Known As: CBKinase1_009137, CBKinase1_021537, BAS 03008158, BRD-K88647254-001-01-9, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
| Molecular Formula | C23H19F3N4OS2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 6.09528 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.09525 |
| Heavy Atoms | 33 |
| Complexity | 1202.8961 |
Chemical Identifiers
| CAS Number | 412922-96-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
CBKinase1_009137 (CAS 412922-96-4), with molecular formula C23H19F3N4OS2 and molecular weight 488.10 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of CBKinase1_009137
Property Insights of CBKinase1_009137
The XLogP value of 6.09528 indicates that CBKinase1_009137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009137. Following Lipinski's Rule of Five, CBKinase1_009137 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_009137?
The CAS number of CBKinase1_009137 is 412922-96-4.
What is the molecular formula of CBKinase1_009137?
The molecular formula of CBKinase1_009137 is C23H19F3N4OS2.
What is the molecular weight of CBKinase1_009137?
The molecular weight of CBKinase1_009137 is 488.10 g/mol.
Where can I buy CBKinase1_009137?
You can request a quote for CBKinase1_009137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009137?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.