CBKinase1_007806
TL;DR: CBKinase1_007806 (CAS 333408-40-5) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007806, CBKinase1_020206, BAS 02593156, 2-{[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, BRD-K12110452-001-01-9
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 1.9153 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 833.4339 |
Chemical Identifiers
| CAS Number | 333408-40-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3 |
Product Overview
CBKinase1_007806 (CAS 333408-40-5), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007806
Property Insights of CBKinase1_007806
The XLogP value of 1.9153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007806. The TPSA of 95.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007806. Following Lipinski's Rule of Five, CBKinase1_007806 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_007806?
The CAS number of CBKinase1_007806 is 333408-40-5.
What is the molecular formula of CBKinase1_007806?
The molecular formula of CBKinase1_007806 is C16H15N5O2S.
What is the molecular weight of CBKinase1_007806?
The molecular weight of CBKinase1_007806 is 341.09 g/mol.
Where can I buy CBKinase1_007806?
You can request a quote for CBKinase1_007806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007806?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.