CBKinase1_011800
TL;DR: CBKinase1_011800 (CAS 835898-20-9) is a chemical compound with molecular formula C15H12ClN5OS3 and molecular weight 408.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: CBKinase1_011800, CBKinase1_024200, SDCCGSBI-0126406.P001, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide, BRD-K80760494-001-01-8
| Molecular Formula | C15H12ClN5OS3 |
|---|---|
| Molecular Weight | 408.99 g/mol |
| LogP | 4.248 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.98926 |
| Heavy Atoms | 25 |
| Complexity | 874.6132 |
Chemical Identifiers
| CAS Number | 835898-20-9 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl |
Product Overview
CBKinase1_011800 (CAS 835898-20-9), with molecular formula C15H12ClN5OS3 and molecular weight 408.99 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_011800
Property Insights of CBKinase1_011800
The XLogP value of 4.248 indicates that CBKinase1_011800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011800. Following Lipinski's Rule of Five, CBKinase1_011800 has 1 hydrogen bond donor(s) and 8 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_011800?
The CAS number of CBKinase1_011800 is 835898-20-9.
What is the molecular formula of CBKinase1_011800?
The molecular formula of CBKinase1_011800 is C15H12ClN5OS3.
What is the molecular weight of CBKinase1_011800?
The molecular weight of CBKinase1_011800 is 408.99 g/mol.
Where can I buy CBKinase1_011800?
You can request a quote for CBKinase1_011800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011800?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.