CBKinase1_004642
TL;DR: CBKinase1_004642 (CAS 642946-19-8) is a chemical compound with molecular formula C20H18BrN5O3S2 and molecular weight 519.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
Also Known As: CBKinase1_004642, CBKinase1_017042, BRD-K83538018-001-01-2, 2-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide, 2-bromo-N-{[(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}benzamide
| Molecular Formula | C20H18BrN5O3S2 |
|---|---|
| Molecular Weight | 519.00 g/mol |
| LogP | 3.78354 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.0034 |
| Heavy Atoms | 31 |
| Complexity | 1227.675 |
Chemical Identifiers
| CAS Number | 642946-19-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)C |
Product Overview
CBKinase1_004642 (CAS 642946-19-8), with molecular formula C20H18BrN5O3S2 and molecular weight 519.00 g/mol. IUPAC: 2-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of CBKinase1_004642
Property Insights of CBKinase1_004642
The XLogP value of 3.78354 indicates that CBKinase1_004642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004642. Following Lipinski's Rule of Five, CBKinase1_004642 has 3 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_004642?
The CAS number of CBKinase1_004642 is 642946-19-8.
What is the molecular formula of CBKinase1_004642?
The molecular formula of CBKinase1_004642 is C20H18BrN5O3S2.
What is the molecular weight of CBKinase1_004642?
The molecular weight of CBKinase1_004642 is 519.00 g/mol.
Where can I buy CBKinase1_004642?
You can request a quote for CBKinase1_004642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004642?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.