CBKinase1_002112
TL;DR: CBKinase1_002112 (CAS 693229-18-4) is a chemical compound with molecular formula C23H19ClN4OS and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002112, CBKinase1_014512, BRD-K15870332-001-01-1, N-(5-chloro-2-methylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C23H19ClN4OS |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 5.62692 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.0968 |
| Heavy Atoms | 30 |
| Complexity | 1162.5588 |
Chemical Identifiers
| CAS Number | 693229-18-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
CBKinase1_002112 (CAS 693229-18-4), with molecular formula C23H19ClN4OS and molecular weight 434.10 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002112
Property Insights of CBKinase1_002112
The XLogP value of 5.62692 indicates that CBKinase1_002112 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_002112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002112 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_002112?
The CAS number of CBKinase1_002112 is 693229-18-4.
What is the molecular formula of CBKinase1_002112?
The molecular formula of CBKinase1_002112 is C23H19ClN4OS.
What is the molecular weight of CBKinase1_002112?
The molecular weight of CBKinase1_002112 is 434.10 g/mol.
Where can I buy CBKinase1_002112?
You can request a quote for CBKinase1_002112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002112?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.