9N-578S
TL;DR: 9N-578S (CAS 478247-37-9) is a chemical compound with molecular formula C18H15ClFN3O3S and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine
Also Known As: 9N-578S, N-[5-[(4-chlorophenyl)sulfonyl]-4-(4-fluorophenoxy)-2-pyrimidinyl]-N,N-dimethylamine, 5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine, 5-(4-chlorobenzenesulfonyl)-4-(4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine
| Molecular Formula | C18H15ClFN3O3S |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 3.9602 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.05066 |
| Heavy Atoms | 27 |
| Complexity | 1056.2148 |
Chemical Identifiers
| CAS Number | 478247-37-9 |
|---|---|
| SMILES | CN(C)C1=NC=C(C(=N1)OC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
9N-578S (CAS 478247-37-9), with molecular formula C18H15ClFN3O3S and molecular weight 407.05 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-4-(4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine.
Chemical Property Profile of 9N-578S
Property Insights of 9N-578S
The XLogP value of 3.9602 indicates that 9N-578S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 9N-578S. Following Lipinski's Rule of Five, 9N-578S 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-578S?
The CAS number of 9N-578S is 478247-37-9.
What is the molecular formula of 9N-578S?
The molecular formula of 9N-578S is C18H15ClFN3O3S.
What is the molecular weight of 9N-578S?
The molecular weight of 9N-578S is 407.05 g/mol.
Where can I buy 9N-578S?
You can request a quote for 9N-578S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-578S?
Yes, KEHONG BIO provides custom synthesis services for 9N-578S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.