CBKinase1_008950
TL;DR: CBKinase1_008950 (CAS 579440-85-0) is a chemical compound with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: CBKinase1_008950, CBKinase1_021350, BRD-K07711983-001-01-9, 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone, 2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C17H17N3O2S2 |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 4.0101 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.07623 |
| Heavy Atoms | 24 |
| Complexity | 810.99054 |
Chemical Identifiers
| CAS Number | 579440-85-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CS3 |
Product Overview
CBKinase1_008950 (CAS 579440-85-0), with molecular formula C17H17N3O2S2 and molecular weight 359.08 g/mol. IUPAC: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of CBKinase1_008950
Property Insights of CBKinase1_008950
The XLogP value of 4.0101 indicates that CBKinase1_008950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, CBKinase1_008950 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008950 has 0 hydrogen bond donor(s) and 6 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_008950?
The CAS number of CBKinase1_008950 is 579440-85-0.
What is the molecular formula of CBKinase1_008950?
The molecular formula of CBKinase1_008950 is C17H17N3O2S2.
What is the molecular weight of CBKinase1_008950?
The molecular weight of CBKinase1_008950 is 359.08 g/mol.
Where can I buy CBKinase1_008950?
You can request a quote for CBKinase1_008950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008950?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.