CBKinase1_004529
TL;DR: CBKinase1_004529 (CAS 642995-88-8) is a chemical compound with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
Also Known As: CBKinase1_004529, CBKinase1_016929, AH-487/42143600, N-{3-[methyl(methylsulfonyl)amino]phenyl}-2-[(4-methylphenyl)sulfanyl]propanamide, BRD-A42982117-001-01-4
| Molecular Formula | C18H22N2O3S2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 3.51012 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.10718 |
| Heavy Atoms | 25 |
| Complexity | 848.8798 |
Chemical Identifiers
| CAS Number | 642995-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC(=CC=C2)N(C)S(=O)(=O)C |
Product Overview
CBKinase1_004529 (CAS 642995-88-8), with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol. IUPAC: N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)sulfanylpropanamide.
Chemical Property Profile of CBKinase1_004529
Property Insights of CBKinase1_004529
The XLogP value of 3.51012 indicates that CBKinase1_004529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004529. Following Lipinski's Rule of Five, CBKinase1_004529 has 1 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_004529?
The CAS number of CBKinase1_004529 is 642995-88-8.
What is the molecular formula of CBKinase1_004529?
The molecular formula of CBKinase1_004529 is C18H22N2O3S2.
What is the molecular weight of CBKinase1_004529?
The molecular weight of CBKinase1_004529 is 378.11 g/mol.
Where can I buy CBKinase1_004529?
You can request a quote for CBKinase1_004529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004529?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.