CBKinase1_002582
TL;DR: CBKinase1_002582 (CAS 693239-55-3) is a chemical compound with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002582, CBKinase1_014982, BRD-K91693909-001-01-7, N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-chloro-2-methylphenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H18ClN5OS |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.05262 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.09207 |
| Heavy Atoms | 26 |
| Complexity | 913.1998 |
Chemical Identifiers
| CAS Number | 693239-55-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C)C3=CC=NC=C3 |
Product Overview
CBKinase1_002582 (CAS 693239-55-3), with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002582
Property Insights of CBKinase1_002582
The XLogP value of 4.05262 indicates that CBKinase1_002582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002582. Following Lipinski's Rule of Five, CBKinase1_002582 has 1 hydrogen bond donor(s) and 5 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_002582?
The CAS number of CBKinase1_002582 is 693239-55-3.
What is the molecular formula of CBKinase1_002582?
The molecular formula of CBKinase1_002582 is C18H18ClN5OS.
What is the molecular weight of CBKinase1_002582?
The molecular weight of CBKinase1_002582 is 387.09 g/mol.
Where can I buy CBKinase1_002582?
You can request a quote for CBKinase1_002582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002582?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.