CBKinase1_008685
TL;DR: CBKinase1_008685 (CAS 710983-45-2) is a chemical compound with molecular formula C28H21ClN4OS and molecular weight 496.11 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-(2-phenylphenyl)acetamide
Also Known As: CBKinase1_008685, CBKinase1_021085, BRD-K11958361-001-01-2, 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide, 2-[5-(3-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(2-phenylphenyl)acet amide
| Molecular Formula | C28H21ClN4OS |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 6.9855 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.11246 |
| Heavy Atoms | 35 |
| Complexity | 1454.5862 |
Chemical Identifiers
| CAS Number | 710983-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)Cl |
Product Overview
CBKinase1_008685 (CAS 710983-45-2), with molecular formula C28H21ClN4OS and molecular weight 496.11 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of CBKinase1_008685
Property Insights of CBKinase1_008685
The XLogP value of 6.9855 indicates that CBKinase1_008685 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_008685 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008685 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_008685?
The CAS number of CBKinase1_008685 is 710983-45-2.
What is the molecular formula of CBKinase1_008685?
The molecular formula of CBKinase1_008685 is C28H21ClN4OS.
What is the molecular weight of CBKinase1_008685?
The molecular weight of CBKinase1_008685 is 496.11 g/mol.
Where can I buy CBKinase1_008685?
You can request a quote for CBKinase1_008685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008685?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.