9N-579S
TL;DR: 9N-579S (CAS 478247-38-0) is a chemical compound with molecular formula C18H15ClFN3O2S2 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine
Also Known As: 9N-579S, N-{5-[(4-chlorophenyl)sulfonyl]-4-[(4-fluorophenyl)sulfanyl]-2-pyrimidinyl}-N,N-dimethylamine, 5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine, 5-(4-chlorobenzenesulfonyl)-4-[(4-fluorophenyl)sulfanyl]-N,N-dimethylpyrimidin-2-amine
| Molecular Formula | C18H15ClFN3O2S2 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 4.3191 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.02783 |
| Heavy Atoms | 27 |
| Complexity | 1056.9697 |
Chemical Identifiers
| CAS Number | 478247-38-0 |
|---|---|
| SMILES | CN(C)C1=NC=C(C(=N1)SC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
9N-579S (CAS 478247-38-0), with molecular formula C18H15ClFN3O2S2 and molecular weight 423.03 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine.
Chemical Property Profile of 9N-579S
Property Insights of 9N-579S
The XLogP value of 4.3191 indicates that 9N-579S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 9N-579S. Following Lipinski's Rule of Five, 9N-579S has 0 hydrogen bond donor(s) and 6 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 9N-579S?
The CAS number of 9N-579S is 478247-38-0.
What is the molecular formula of 9N-579S?
The molecular formula of 9N-579S is C18H15ClFN3O2S2.
What is the molecular weight of 9N-579S?
The molecular weight of 9N-579S is 423.03 g/mol.
Where can I buy 9N-579S?
You can request a quote for 9N-579S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-579S?
Yes, KEHONG BIO provides custom synthesis services for 9N-579S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.