CBKinase1_002664
TL;DR: CBKinase1_002664 (CAS 496775-69-0) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_002664, CBKinase1_015064, AO-476/41585827, BRD-K65606227-001-01-6, 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.3129 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1096.8876 |
Chemical Identifiers
| CAS Number | 496775-69-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
CBKinase1_002664 (CAS 496775-69-0), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of CBKinase1_002664
Property Insights of CBKinase1_002664
The XLogP value of 4.3129 indicates that CBKinase1_002664 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002664. Following Lipinski's Rule of Five, CBKinase1_002664 has 0 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_002664?
The CAS number of CBKinase1_002664 is 496775-69-0.
What is the molecular formula of CBKinase1_002664?
The molecular formula of CBKinase1_002664 is C22H18N4O2S.
What is the molecular weight of CBKinase1_002664?
The molecular weight of CBKinase1_002664 is 402.12 g/mol.
Where can I buy CBKinase1_002664?
You can request a quote for CBKinase1_002664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002664?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.