C13H8Cl2F3N3OS
TL;DR: C13H8Cl2F3N3OS (CAS 708979-61-7) is a chemical compound with molecular formula C13H8Cl2F3N3OS and molecular weight 380.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide, D054-0015, 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(methylthio)pyrimidine-4-carboxamide
| Molecular Formula | C13H8Cl2F3N3OS |
|---|---|
| Molecular Weight | 380.97 g/mol |
| LogP | 4.7764 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.9717 |
| Heavy Atoms | 23 |
| Complexity | 755.73 |
Chemical Identifiers
| CAS Number | 708979-61-7 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl |
Product Overview
C13H8Cl2F3N3OS (CAS 708979-61-7), with molecular formula C13H8Cl2F3N3OS and molecular weight 380.97 g/mol. IUPAC: 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of C13H8Cl2F3N3OS
Property Insights of C13H8Cl2F3N3OS
The XLogP value of 4.7764 indicates that C13H8Cl2F3N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, C13H8Cl2F3N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H8Cl2F3N3OS has 1 hydrogen bond donor(s) and 4 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 C13H8Cl2F3N3OS?
The CAS number of C13H8Cl2F3N3OS is 708979-61-7.
What is the molecular formula of C13H8Cl2F3N3OS?
The molecular formula of C13H8Cl2F3N3OS is C13H8Cl2F3N3OS.
What is the molecular weight of C13H8Cl2F3N3OS?
The molecular weight of C13H8Cl2F3N3OS is 380.97 g/mol.
Where can I buy C13H8Cl2F3N3OS?
You can request a quote for C13H8Cl2F3N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H8Cl2F3N3OS?
Yes, KEHONG BIO provides custom synthesis services for C13H8Cl2F3N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.