CBKinase1_008334
TL;DR: CBKinase1_008334 (CAS 445265-66-7) is a chemical compound with molecular formula C21H16N4OS3 and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
Also Known As: CBKinase1_008334, CBKinase1_020734, AM-807/12427161, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylacetamide, BRD-K89814851-001-01-1
| Molecular Formula | C21H16N4OS3 |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 5.22456 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.0486 |
| Heavy Atoms | 29 |
| Complexity | 1136.1208 |
Chemical Identifiers
| CAS Number | 445265-66-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N)C#N |
Product Overview
CBKinase1_008334 (CAS 445265-66-7), with molecular formula C21H16N4OS3 and molecular weight 436.05 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008334
Property Insights of CBKinase1_008334
The XLogP value of 5.22456 indicates that CBKinase1_008334 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_008334. Following Lipinski's Rule of Five, CBKinase1_008334 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_008334?
The CAS number of CBKinase1_008334 is 445265-66-7.
What is the molecular formula of CBKinase1_008334?
The molecular formula of CBKinase1_008334 is C21H16N4OS3.
What is the molecular weight of CBKinase1_008334?
The molecular weight of CBKinase1_008334 is 436.05 g/mol.
Where can I buy CBKinase1_008334?
You can request a quote for CBKinase1_008334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008334?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.