12K-522S
TL;DR: 12K-522S (CAS 477709-52-7) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine;hydrate
Also Known As: 12K-522S, 6-[(4-chlorobenzenesulfinyl)methyl]-N,N-dimethyl-2-(pyridin-2-yl)pyrimidin-4-amine hydrate, 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine;hydrate, 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-yl-pyrimidin-4-amine Hydrate, 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine hydrate
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.7411 |
| Topological Polar Surface Area | 90.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 889.45276 |
Chemical Identifiers
| CAS Number | 477709-52-7 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=C1)CS(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=N3.O |
Product Overview
12K-522S (CAS 477709-52-7), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine;hydrate.
Chemical Property Profile of 12K-522S
Property Insights of 12K-522S
The XLogP value of 2.7411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12K-522S. The TPSA of 90.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 12K-522S. Following Lipinski's Rule of Five, 12K-522S has 0 hydrogen bond donor(s) and 5 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 12K-522S?
The CAS number of 12K-522S is 477709-52-7.
What is the molecular formula of 12K-522S?
The molecular formula of 12K-522S is C18H19ClN4O2S.
What is the molecular weight of 12K-522S?
The molecular weight of 12K-522S is 390.09 g/mol.
Where can I buy 12K-522S?
You can request a quote for 12K-522S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12K-522S?
Yes, KEHONG BIO provides custom synthesis services for 12K-522S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.