CBKinase1_002080
TL;DR: CBKinase1_002080 (CAS 693230-93-2) is a chemical compound with molecular formula C22H18N4S and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: CBKinase1_002080, CBKinase1_014480, BRD-K43855305-001-01-1, 2-({[4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C22H18N4S |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 4.72308 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1252 |
| Heavy Atoms | 27 |
| Complexity | 1135.2242 |
Chemical Identifiers
| CAS Number | 693230-93-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2C#N)CC3=CC=CC4=CC=CC=C43 |
Product Overview
CBKinase1_002080 (CAS 693230-93-2), with molecular formula C22H18N4S and molecular weight 370.13 g/mol. IUPAC: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of CBKinase1_002080
Property Insights of CBKinase1_002080
The XLogP value of 4.72308 indicates that CBKinase1_002080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, CBKinase1_002080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002080 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002080?
The CAS number of CBKinase1_002080 is 693230-93-2.
What is the molecular formula of CBKinase1_002080?
The molecular formula of CBKinase1_002080 is C22H18N4S.
What is the molecular weight of CBKinase1_002080?
The molecular weight of CBKinase1_002080 is 370.13 g/mol.
Where can I buy CBKinase1_002080?
You can request a quote for CBKinase1_002080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002080?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.