CBKinase1_004844
TL;DR: CBKinase1_004844 (CAS 593238-74-5) is a chemical compound with molecular formula C24H20ClN3O4S and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
Also Known As: CBKinase1_004844, CBKinase1_017244, acetamide,2-(4-chloro-2-methylphenoxy)-N-[[[3-hydroxy-4-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-, Acetamide, 2-(4-chloro-2-methylphenoxy)-N-[[[3-hydroxy-4-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]- (9CI), 2-(1-adamantyl)-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
| Molecular Formula | C24H20ClN3O4S |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 5.36264 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.0863 |
| Heavy Atoms | 33 |
| Complexity | 1369.3358 |
Chemical Identifiers
| CAS Number | 593238-74-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)COC4=C(C=C(C=C4)Cl)C)O |
Product Overview
CBKinase1_004844 (CAS 593238-74-5), with molecular formula C24H20ClN3O4S and molecular weight 481.09 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of CBKinase1_004844
Property Insights of CBKinase1_004844
The XLogP value of 5.36264 indicates that CBKinase1_004844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004844. Following Lipinski's Rule of Five, CBKinase1_004844 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_004844?
The CAS number of CBKinase1_004844 is 593238-74-5.
What is the molecular formula of CBKinase1_004844?
The molecular formula of CBKinase1_004844 is C24H20ClN3O4S.
What is the molecular weight of CBKinase1_004844?
The molecular weight of CBKinase1_004844 is 481.09 g/mol.
Where can I buy CBKinase1_004844?
You can request a quote for CBKinase1_004844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004844?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.