CBKinase1_007460
TL;DR: CBKinase1_007460 (CAS 377757-89-6) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007460, CBKinase1_019860, BRD-K04468069-001-01-6, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.22362 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1291.575 |
Chemical Identifiers
| CAS Number | 377757-89-6 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
CBKinase1_007460 (CAS 377757-89-6), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007460
Property Insights of CBKinase1_007460
The XLogP value of 4.22362 indicates that CBKinase1_007460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007460. Following Lipinski's Rule of Five, CBKinase1_007460 has 1 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_007460?
The CAS number of CBKinase1_007460 is 377757-89-6.
What is the molecular formula of CBKinase1_007460?
The molecular formula of CBKinase1_007460 is C22H22N4O3S2.
What is the molecular weight of CBKinase1_007460?
The molecular weight of CBKinase1_007460 is 454.11 g/mol.
Where can I buy CBKinase1_007460?
You can request a quote for CBKinase1_007460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007460?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.