9L-566S
TL;DR: 9L-566S (CAS 478261-63-1) is a chemical compound with molecular formula C20H20BrN3OS2 and molecular weight 461.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-bromophenyl)sulfanylmethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
Also Known As: 9L-566S, 6-{[(4-bromophenyl)sulfanyl]methyl}-2-[(4-methoxybenzyl)sulfanyl]-N-methyl-4-pyrimidinamine, 6-{[(4-bromophenyl)sulfanyl]methyl}-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methylpyrimidin-4-amine, 6-[(4-bromophenyl)sulfanylmethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-N-methylpyrimidin-4-amine, 6-[(4-bromophenyl)sulfanylmethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-N-methyl-pyrimidin-4-amine
| Molecular Formula | C20H20BrN3OS2 |
|---|---|
| Molecular Weight | 461.02 g/mol |
| LogP | 5.874 |
| Topological Polar Surface Area | 47.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.02313 |
| Heavy Atoms | 27 |
| Complexity | 873.4002 |
Chemical Identifiers
| CAS Number | 478261-63-1 |
|---|---|
| SMILES | CNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)OC |
Product Overview
9L-566S (CAS 478261-63-1), with molecular formula C20H20BrN3OS2 and molecular weight 461.02 g/mol. IUPAC: 6-[(4-bromophenyl)sulfanylmethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-N-methylpyrimidin-4-amine.
Chemical Property Profile of 9L-566S
Property Insights of 9L-566S
The XLogP value of 5.874 indicates that 9L-566S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.04 Ų, 9L-566S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9L-566S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9L-566S?
The CAS number of 9L-566S is 478261-63-1.
What is the molecular formula of 9L-566S?
The molecular formula of 9L-566S is C20H20BrN3OS2.
What is the molecular weight of 9L-566S?
The molecular weight of 9L-566S is 461.02 g/mol.
Where can I buy 9L-566S?
You can request a quote for 9L-566S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-566S?
Yes, KEHONG BIO provides custom synthesis services for 9L-566S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.