CBKinase1_008510
TL;DR: CBKinase1_008510 (CAS 710982-98-2) is a chemical compound with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: CBKinase1_008510, CBKinase1_020910, BRD-K59870276-001-01-6, 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C20H19ClN4O3S |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 4.1204 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.08664 |
| Heavy Atoms | 29 |
| Complexity | 1040.3158 |
Chemical Identifiers
| CAS Number | 710982-98-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)Cl |
Product Overview
CBKinase1_008510 (CAS 710982-98-2), with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of CBKinase1_008510
Property Insights of CBKinase1_008510
The XLogP value of 4.1204 indicates that CBKinase1_008510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008510. Following Lipinski's Rule of Five, CBKinase1_008510 has 1 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_008510?
The CAS number of CBKinase1_008510 is 710982-98-2.
What is the molecular formula of CBKinase1_008510?
The molecular formula of CBKinase1_008510 is C20H19ClN4O3S.
What is the molecular weight of CBKinase1_008510?
The molecular weight of CBKinase1_008510 is 430.09 g/mol.
Where can I buy CBKinase1_008510?
You can request a quote for CBKinase1_008510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008510?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.