CBKinase1_012204
TL;DR: CBKinase1_012204 (CAS 833434-85-8) is a chemical compound with molecular formula C11H12ClN5OS3 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Also Known As: CBKinase1_012204, CBKinase1_024604, 5-chloro-2-(methylsulfanyl)-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide, BRD-K12635077-001-01-0, 5-chloro-2-(methylthio)-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide
| Molecular Formula | C11H12ClN5OS3 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 3.4578 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.98926 |
| Heavy Atoms | 21 |
| Complexity | 636.0713 |
Chemical Identifiers
| CAS Number | 833434-85-8 |
|---|---|
| SMILES | CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
CBKinase1_012204 (CAS 833434-85-8), with molecular formula C11H12ClN5OS3 and molecular weight 360.99 g/mol. IUPAC: 5-chloro-2-methylsulfanyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide.
Chemical Property Profile of CBKinase1_012204
Property Insights of CBKinase1_012204
The XLogP value of 3.4578 indicates that CBKinase1_012204 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_012204. Following Lipinski's Rule of Five, CBKinase1_012204 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_012204?
The CAS number of CBKinase1_012204 is 833434-85-8.
What is the molecular formula of CBKinase1_012204?
The molecular formula of CBKinase1_012204 is C11H12ClN5OS3.
What is the molecular weight of CBKinase1_012204?
The molecular weight of CBKinase1_012204 is 360.99 g/mol.
Where can I buy CBKinase1_012204?
You can request a quote for CBKinase1_012204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012204?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.