CBKinase1_008917
TL;DR: CBKinase1_008917 (CAS 557063-71-5) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008917, CBKinase1_021317, BAS 04024696, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, BRD-K85802555-001-01-9
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.862 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 976.9554 |
Chemical Identifiers
| CAS Number | 557063-71-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4 |
Product Overview
CBKinase1_008917 (CAS 557063-71-5), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008917
Property Insights of CBKinase1_008917
The XLogP value of 2.862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008917. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008917. Following Lipinski's Rule of Five, CBKinase1_008917 has 1 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_008917?
The CAS number of CBKinase1_008917 is 557063-71-5.
What is the molecular formula of CBKinase1_008917?
The molecular formula of CBKinase1_008917 is C19H19N5O3S.
What is the molecular weight of CBKinase1_008917?
The molecular weight of CBKinase1_008917 is 397.12 g/mol.
Where can I buy CBKinase1_008917?
You can request a quote for CBKinase1_008917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008917?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.