CBKinase1_005062
TL;DR: CBKinase1_005062 (CAS 620569-88-2) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: CBKinase1_005062, CBKinase1_017462, BRD-K70158806-001-01-0, F1439-0013, 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.2432 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 942.58124 |
Chemical Identifiers
| CAS Number | 620569-88-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3 |
Product Overview
CBKinase1_005062 (CAS 620569-88-2), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of CBKinase1_005062
Property Insights of CBKinase1_005062
The XLogP value of 3.2432 indicates that CBKinase1_005062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005062. Following Lipinski's Rule of Five, CBKinase1_005062 has 0 hydrogen bond donor(s) and 7 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_005062?
The CAS number of CBKinase1_005062 is 620569-88-2.
What is the molecular formula of CBKinase1_005062?
The molecular formula of CBKinase1_005062 is C17H15N5O3S.
What is the molecular weight of CBKinase1_005062?
The molecular weight of CBKinase1_005062 is 369.09 g/mol.
Where can I buy CBKinase1_005062?
You can request a quote for CBKinase1_005062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005062?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.