CBKinase1_005519
TL;DR: CBKinase1_005519 (CAS 676640-79-2) is a chemical compound with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_005519, CBKinase1_017919, AO-081/42330290, 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, BRD-K46778902-001-01-9
| Molecular Formula | C18H18N4OS2 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 3.1488 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.0922 |
| Heavy Atoms | 25 |
| Complexity | 888.38043 |
Chemical Identifiers
| CAS Number | 676640-79-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CC4=CC=CS4 |
Product Overview
CBKinase1_005519 (CAS 676640-79-2), with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_005519
Property Insights of CBKinase1_005519
The XLogP value of 3.1488 indicates that CBKinase1_005519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, CBKinase1_005519 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005519 has 0 hydrogen bond donor(s) and 5 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_005519?
The CAS number of CBKinase1_005519 is 676640-79-2.
What is the molecular formula of CBKinase1_005519?
The molecular formula of CBKinase1_005519 is C18H18N4OS2.
What is the molecular weight of CBKinase1_005519?
The molecular weight of CBKinase1_005519 is 370.09 g/mol.
Where can I buy CBKinase1_005519?
You can request a quote for CBKinase1_005519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005519?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.