CBKinase1_001659
TL;DR: CBKinase1_001659 (CAS 431930-69-7) is a chemical compound with molecular formula C24H22ClN5O3S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide
Also Known As: CBKinase1_001659, CBKinase1_014059, BRD-K63078556-001-01-1, N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide, N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(3-methylphenoxy)acetamide
| Molecular Formula | C24H22ClN5O3S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.59134 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.1132 |
| Heavy Atoms | 34 |
| Complexity | 1388.5487 |
Chemical Identifiers
| CAS Number | 431930-69-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC(=C(C=C4)OC)Cl |
Product Overview
CBKinase1_001659 (CAS 431930-69-7), with molecular formula C24H22ClN5O3S and molecular weight 495.11 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide.
Chemical Property Profile of CBKinase1_001659
Property Insights of CBKinase1_001659
The XLogP value of 4.59134 indicates that CBKinase1_001659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001659. Following Lipinski's Rule of Five, CBKinase1_001659 has 2 hydrogen bond donor(s) and 6 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_001659?
The CAS number of CBKinase1_001659 is 431930-69-7.
What is the molecular formula of CBKinase1_001659?
The molecular formula of CBKinase1_001659 is C24H22ClN5O3S.
What is the molecular weight of CBKinase1_001659?
The molecular weight of CBKinase1_001659 is 495.11 g/mol.
Where can I buy CBKinase1_001659?
You can request a quote for CBKinase1_001659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001659?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.