CBKinase1_002255
TL;DR: CBKinase1_002255 (CAS 693233-93-1) is a chemical compound with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_002255, CBKinase1_014655, BRD-K73953970-001-01-1, 1-(4-chlorophenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C22H18ClN3OS |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 5.1875 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.0859 |
| Heavy Atoms | 28 |
| Complexity | 1132.9531 |
Chemical Identifiers
| CAS Number | 693233-93-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC4=CC=CC=C43 |
Product Overview
CBKinase1_002255 (CAS 693233-93-1), with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_002255
Property Insights of CBKinase1_002255
The XLogP value of 5.1875 indicates that CBKinase1_002255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, CBKinase1_002255 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002255 has 0 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_002255?
The CAS number of CBKinase1_002255 is 693233-93-1.
What is the molecular formula of CBKinase1_002255?
The molecular formula of CBKinase1_002255 is C22H18ClN3OS.
What is the molecular weight of CBKinase1_002255?
The molecular weight of CBKinase1_002255 is 407.09 g/mol.
Where can I buy CBKinase1_002255?
You can request a quote for CBKinase1_002255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002255?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.