CBKinase1_003603
TL;DR: CBKinase1_003603 (CAS 442865-26-1) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
Also Known As: CBKinase1_003603, CBKinase1_016003, AB00329369-02, 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, BRD-K90430380-001-01-3
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.17094 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 1098.0326 |
Chemical Identifiers
| CAS Number | 442865-26-1 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
CBKinase1_003603 (CAS 442865-26-1), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_003603
Property Insights of CBKinase1_003603
The XLogP value of 4.17094 indicates that CBKinase1_003603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, CBKinase1_003603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003603 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003603?
The CAS number of CBKinase1_003603 is 442865-26-1.
What is the molecular formula of CBKinase1_003603?
The molecular formula of CBKinase1_003603 is C21H20N4OS.
What is the molecular weight of CBKinase1_003603?
The molecular weight of CBKinase1_003603 is 376.14 g/mol.
Where can I buy CBKinase1_003603?
You can request a quote for CBKinase1_003603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003603?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.