RefChem:424012
TL;DR: RefChem:424012 (CAS 476482-88-9) is a chemical compound with molecular formula C18H22N8O3S and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide
Also Known As: Salor-int l218170-1ea, AB00674017-01, 1-(3-methyl-2,6-dioxo-7-(2-(pyrimidin-2-ylthio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, F1342-0096, 1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide
| Molecular Formula | C18H22N8O3S |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | -0.2927 |
| Topological Polar Surface Area | 144.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.15356 |
| Heavy Atoms | 30 |
| Complexity | 1177.8451 |
Chemical Identifiers
| CAS Number | 476482-88-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4 |
Product Overview
RefChem:424012 (CAS 476482-88-9), with molecular formula C18H22N8O3S and molecular weight 430.15 g/mol. IUPAC: 1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of RefChem:424012
Property Insights of RefChem:424012
The XLogP value of -0.2927 indicates that RefChem:424012 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.79 Ų indicates high polarity, suggesting RefChem:424012 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:424012 has 2 hydrogen bond donor(s) and 8 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 RefChem:424012?
The CAS number of RefChem:424012 is 476482-88-9.
What is the molecular formula of RefChem:424012?
The molecular formula of RefChem:424012 is C18H22N8O3S.
What is the molecular weight of RefChem:424012?
The molecular weight of RefChem:424012 is 430.15 g/mol.
Where can I buy RefChem:424012?
You can request a quote for RefChem:424012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.