CBKinase1_008683
TL;DR: CBKinase1_008683 (CAS 690246-70-9) is a chemical compound with molecular formula C16H13N5S2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
Also Known As: CBKinase1_008683, CBKinase1_021083, 2-(((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzo[d]thiazole, BRD-K88997101-001-01-3, F1651-0025
| Molecular Formula | C16H13N5S2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.7791 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.06125 |
| Heavy Atoms | 23 |
| Complexity | 912.43634 |
Chemical Identifiers
| CAS Number | 690246-70-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CN=CC=C4 |
Product Overview
CBKinase1_008683 (CAS 690246-70-9), with molecular formula C16H13N5S2 and molecular weight 339.06 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole.
Chemical Property Profile of CBKinase1_008683
Property Insights of CBKinase1_008683
The XLogP value of 3.7791 indicates that CBKinase1_008683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, CBKinase1_008683 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008683 has 0 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_008683?
The CAS number of CBKinase1_008683 is 690246-70-9.
What is the molecular formula of CBKinase1_008683?
The molecular formula of CBKinase1_008683 is C16H13N5S2.
What is the molecular weight of CBKinase1_008683?
The molecular weight of CBKinase1_008683 is 339.06 g/mol.
Where can I buy CBKinase1_008683?
You can request a quote for CBKinase1_008683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008683?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.