ChemDiv3_011624
TL;DR: ChemDiv3_011624 (CAS 879943-45-0) is a chemical compound with molecular formula C15H11ClFN5OS3 and molecular weight 426.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: ChemDiv3_011624, IDI1_029182, BRD-K68120888-001-01-5, 5-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
| Molecular Formula | C15H11ClFN5OS3 |
|---|---|
| Molecular Weight | 426.98 g/mol |
| LogP | 4.3871 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.97983 |
| Heavy Atoms | 26 |
| Complexity | 921.90027 |
Chemical Identifiers
| CAS Number | 879943-45-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F)Cl |
Product Overview
ChemDiv3_011624 (CAS 879943-45-0), with molecular formula C15H11ClFN5OS3 and molecular weight 426.98 g/mol. IUPAC: 5-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_011624
Property Insights of ChemDiv3_011624
The XLogP value of 4.3871 indicates that ChemDiv3_011624 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 ChemDiv3_011624. Following Lipinski's Rule of Five, ChemDiv3_011624 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 ChemDiv3_011624?
The CAS number of ChemDiv3_011624 is 879943-45-0.
What is the molecular formula of ChemDiv3_011624?
The molecular formula of ChemDiv3_011624 is C15H11ClFN5OS3.
What is the molecular weight of ChemDiv3_011624?
The molecular weight of ChemDiv3_011624 is 426.98 g/mol.
Where can I buy ChemDiv3_011624?
You can request a quote for ChemDiv3_011624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011624?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.