CBKinase1_004275
TL;DR: CBKinase1_004275 (CAS 713097-64-4) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_004275, CBKinase1_016675, AN-698/42116169, BRD-K45784584-001-01-3, 2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.9434 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 925.714 |
Chemical Identifiers
| CAS Number | 713097-64-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC=C(C=C3)OC |
Product Overview
CBKinase1_004275 (CAS 713097-64-4), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004275
Property Insights of CBKinase1_004275
The XLogP value of 3.9434 indicates that CBKinase1_004275 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004275. Following Lipinski's Rule of Five, CBKinase1_004275 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_004275?
The CAS number of CBKinase1_004275 is 713097-64-4.
What is the molecular formula of CBKinase1_004275?
The molecular formula of CBKinase1_004275 is C19H20N4O2S2.
What is the molecular weight of CBKinase1_004275?
The molecular weight of CBKinase1_004275 is 400.10 g/mol.
Where can I buy CBKinase1_004275?
You can request a quote for CBKinase1_004275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004275?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.