CBKinase1_004408
TL;DR: CBKinase1_004408 (CAS 613225-81-3) is a chemical compound with molecular formula C23H19ClN6O2S and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004408, CBKinase1_016808, BRD-K43378877-001-01-2, N-[4-(acetylamino)phenyl]-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
| Molecular Formula | C23H19ClN6O2S |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 4.6719 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.09787 |
| Heavy Atoms | 33 |
| Complexity | 1260.6234 |
Chemical Identifiers
| CAS Number | 613225-81-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
CBKinase1_004408 (CAS 613225-81-3), with molecular formula C23H19ClN6O2S and molecular weight 478.10 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004408
Property Insights of CBKinase1_004408
The XLogP value of 4.6719 indicates that CBKinase1_004408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004408. Following Lipinski's Rule of Five, CBKinase1_004408 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_004408?
The CAS number of CBKinase1_004408 is 613225-81-3.
What is the molecular formula of CBKinase1_004408?
The molecular formula of CBKinase1_004408 is C23H19ClN6O2S.
What is the molecular weight of CBKinase1_004408?
The molecular weight of CBKinase1_004408 is 478.10 g/mol.
Where can I buy CBKinase1_004408?
You can request a quote for CBKinase1_004408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004408?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.