CBKinase1_008641
TL;DR: CBKinase1_008641 (CAS 710983-39-4) is a chemical compound with molecular formula C22H15ClF2N4OS and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: CBKinase1_008641, CBKinase1_021041, BRD-K11126967-001-01-4, 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C22H15ClF2N4OS |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 5.5967 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.06232 |
| Heavy Atoms | 31 |
| Complexity | 1233.4253 |
Chemical Identifiers
| CAS Number | 710983-39-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC(=CC=C4)Cl |
Product Overview
CBKinase1_008641 (CAS 710983-39-4), with molecular formula C22H15ClF2N4OS and molecular weight 456.06 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of CBKinase1_008641
Property Insights of CBKinase1_008641
The XLogP value of 5.5967 indicates that CBKinase1_008641 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_008641 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008641 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_008641?
The CAS number of CBKinase1_008641 is 710983-39-4.
What is the molecular formula of CBKinase1_008641?
The molecular formula of CBKinase1_008641 is C22H15ClF2N4OS.
What is the molecular weight of CBKinase1_008641?
The molecular weight of CBKinase1_008641 is 456.06 g/mol.
Where can I buy CBKinase1_008641?
You can request a quote for CBKinase1_008641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008641?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.