CBKinase1_012149
TL;DR: CBKinase1_012149 (CAS 838400-01-4) is a chemical compound with molecular formula C11H12ClN5OS2 and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Also Known As: CBKinase1_012149, CBKinase1_024549, 5-chloro-2-(methylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide, BRD-K08414447-001-01-9, 5-chloro-2-methylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
| Molecular Formula | C11H12ClN5OS2 |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 2.9082 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.01718 |
| Heavy Atoms | 20 |
| Complexity | 618.611 |
Chemical Identifiers
| CAS Number | 838400-01-4 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
CBKinase1_012149 (CAS 838400-01-4), with molecular formula C11H12ClN5OS2 and molecular weight 329.02 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_012149
Property Insights of CBKinase1_012149
The XLogP value of 2.9082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012149. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012149. Following Lipinski's Rule of Five, CBKinase1_012149 has 1 hydrogen bond donor(s) and 7 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_012149?
The CAS number of CBKinase1_012149 is 838400-01-4.
What is the molecular formula of CBKinase1_012149?
The molecular formula of CBKinase1_012149 is C11H12ClN5OS2.
What is the molecular weight of CBKinase1_012149?
The molecular weight of CBKinase1_012149 is 329.02 g/mol.
Where can I buy CBKinase1_012149?
You can request a quote for CBKinase1_012149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012149?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.