CBKinase1_008608
TL;DR: CBKinase1_008608 (CAS 445383-44-8) is a chemical compound with molecular formula C21H13F3N4OS3 and molecular weight 490.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
Also Known As: CBKinase1_008608, CBKinase1_021008, AM-807/14147368, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide, BRD-K43928961-001-01-1
| Molecular Formula | C21H13F3N4OS3 |
|---|---|
| Molecular Weight | 490.02 g/mol |
| LogP | 5.85326 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.02036 |
| Heavy Atoms | 32 |
| Complexity | 1267.4138 |
Chemical Identifiers
| CAS Number | 445383-44-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N |
Product Overview
CBKinase1_008608 (CAS 445383-44-8), with molecular formula C21H13F3N4OS3 and molecular weight 490.02 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008608
Property Insights of CBKinase1_008608
The XLogP value of 5.85326 indicates that CBKinase1_008608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008608. Following Lipinski's Rule of Five, CBKinase1_008608 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008608?
The CAS number of CBKinase1_008608 is 445383-44-8.
What is the molecular formula of CBKinase1_008608?
The molecular formula of CBKinase1_008608 is C21H13F3N4OS3.
What is the molecular weight of CBKinase1_008608?
The molecular weight of CBKinase1_008608 is 490.02 g/mol.
Where can I buy CBKinase1_008608?
You can request a quote for CBKinase1_008608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008608?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.