CBKinase1_005510
TL;DR: CBKinase1_005510 (CAS 678548-00-0) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_005510, CBKinase1_017910, BAS 09627903, 1-(4-bromophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, BRD-K21460041-001-01-5
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.0975 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 833.5567 |
Chemical Identifiers
| CAS Number | 678548-00-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3 |
Product Overview
CBKinase1_005510 (CAS 678548-00-0), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_005510
Property Insights of CBKinase1_005510
The XLogP value of 4.0975 indicates that CBKinase1_005510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005510. Following Lipinski's Rule of Five, CBKinase1_005510 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_005510?
The CAS number of CBKinase1_005510 is 678548-00-0.
What is the molecular formula of CBKinase1_005510?
The molecular formula of CBKinase1_005510 is C17H15BrN4OS.
What is the molecular weight of CBKinase1_005510?
The molecular weight of CBKinase1_005510 is 402.01 g/mol.
Where can I buy CBKinase1_005510?
You can request a quote for CBKinase1_005510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005510?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.