CBKinase1_004301
TL;DR: CBKinase1_004301 (CAS 477332-63-1) is a chemical compound with molecular formula C23H17ClF2N4OS and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: CBKinase1_004301, CBKinase1_016701, 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide, BRD-K67289138-001-01-7, 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C23H17ClF2N4OS |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 5.90512 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.07797 |
| Heavy Atoms | 32 |
| Complexity | 1260.239 |
Chemical Identifiers
| CAS Number | 477332-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_004301 (CAS 477332-63-1), with molecular formula C23H17ClF2N4OS and molecular weight 470.08 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of CBKinase1_004301
Property Insights of CBKinase1_004301
The XLogP value of 5.90512 indicates that CBKinase1_004301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_004301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004301 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004301?
The CAS number of CBKinase1_004301 is 477332-63-1.
What is the molecular formula of CBKinase1_004301?
The molecular formula of CBKinase1_004301 is C23H17ClF2N4OS.
What is the molecular weight of CBKinase1_004301?
The molecular weight of CBKinase1_004301 is 470.08 g/mol.
Where can I buy CBKinase1_004301?
You can request a quote for CBKinase1_004301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004301?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.