8N-589S
TL;DR: 8N-589S (CAS 478080-93-2) is a chemical compound with molecular formula C19H18ClN3O3S2 and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine
Also Known As: 8N-589S, N-{5-[(4-chlorophenyl)sulfonyl]-4-[(3-methoxyphenyl)sulfanyl]-2-pyrimidinyl}-N,N-dimethylamine, 5-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine, 5-(4-chlorobenzenesulfonyl)-4-[(3-methoxyphenyl)sulfanyl]-N,N-dimethylpyrimidin-2-amine
| Molecular Formula | C19H18ClN3O3S2 |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 4.1886 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.04782 |
| Heavy Atoms | 28 |
| Complexity | 1087.8329 |
Chemical Identifiers
| CAS Number | 478080-93-2 |
|---|---|
| SMILES | CN(C)C1=NC=C(C(=N1)SC2=CC=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
8N-589S (CAS 478080-93-2), with molecular formula C19H18ClN3O3S2 and molecular weight 435.05 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine.
Chemical Property Profile of 8N-589S
Property Insights of 8N-589S
The XLogP value of 4.1886 indicates that 8N-589S 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 8N-589S. Following Lipinski's Rule of Five, 8N-589S has 0 hydrogen bond donor(s) and 7 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 8N-589S?
The CAS number of 8N-589S is 478080-93-2.
What is the molecular formula of 8N-589S?
The molecular formula of 8N-589S is C19H18ClN3O3S2.
What is the molecular weight of 8N-589S?
The molecular weight of 8N-589S is 435.05 g/mol.
Where can I buy 8N-589S?
You can request a quote for 8N-589S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-589S?
Yes, KEHONG BIO provides custom synthesis services for 8N-589S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.