9L-552S
TL;DR: 9L-552S (CAS 478261-61-9) is a chemical compound with molecular formula C21H19Cl2N3S2 and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-6-[(4-chlorophenyl)sulfanylmethyl]-N-prop-2-enylpyrimidin-4-amine
Also Known As: 9L-552S, N-allyl-2-[(4-chlorobenzyl)sulfanyl]-6-{[(4-chlorophenyl)sulfanyl]methyl}-4-pyrimidinamine, 2-[(4-chlorophenyl)methylsulfanyl]-6-[(4-chlorophenyl)sulfanylmethyl]-N-prop-2-enylpyrimidin-4-amine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine, 2-[[(4-Chlorophenyl)methyl]thio]-6-[[(4-chlorophenyl)thio]methyl]-N-2-propen-1-yl-4-pyrimidinamine
| Molecular Formula | C21H19Cl2N3S2 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 6.9659 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.03973 |
| Heavy Atoms | 28 |
| Complexity | 848.1887 |
Chemical Identifiers
| CAS Number | 478261-61-9 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)Cl |
Product Overview
9L-552S (CAS 478261-61-9), with molecular formula C21H19Cl2N3S2 and molecular weight 447.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(4-chlorophenyl)sulfanylmethyl]-N-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of 9L-552S
Property Insights of 9L-552S
The XLogP value of 6.9659 indicates that 9L-552S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, 9L-552S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9L-552S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9L-552S?
The CAS number of 9L-552S is 478261-61-9.
What is the molecular formula of 9L-552S?
The molecular formula of 9L-552S is C21H19Cl2N3S2.
What is the molecular weight of 9L-552S?
The molecular weight of 9L-552S is 447.04 g/mol.
Where can I buy 9L-552S?
You can request a quote for 9L-552S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-552S?
Yes, KEHONG BIO provides custom synthesis services for 9L-552S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.