CBKinase1_007598
TL;DR: CBKinase1_007598 (CAS 708251-63-2) is a chemical compound with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007598, CBKinase1_019998, BRD-K21754482-001-01-7, N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H19ClN4O3S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 3.8835 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.08664 |
| Heavy Atoms | 28 |
| Complexity | 978.8101 |
Chemical Identifiers
| CAS Number | 708251-63-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl)C3=CC=CC=C3 |
Product Overview
CBKinase1_007598 (CAS 708251-63-2), with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol. IUPAC: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007598
Property Insights of CBKinase1_007598
The XLogP value of 3.8835 indicates that CBKinase1_007598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007598. Following Lipinski's Rule of Five, CBKinase1_007598 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_007598?
The CAS number of CBKinase1_007598 is 708251-63-2.
What is the molecular formula of CBKinase1_007598?
The molecular formula of CBKinase1_007598 is C19H19ClN4O3S.
What is the molecular weight of CBKinase1_007598?
The molecular weight of CBKinase1_007598 is 418.09 g/mol.
Where can I buy CBKinase1_007598?
You can request a quote for CBKinase1_007598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007598?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.