RefChem:419360
TL;DR: RefChem:419360 (CAS 476482-47-0) is a chemical compound with molecular formula C19H24N8O3S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5836647:001, 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide, 1-{1,3-dimethyl-2,6-dioxo-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide, 1-(1,3-DIMETHYL-2,6-DIOXO-7-(2-(2-PYRIMIDINYLSULFANYL)ETHYL)-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)-4-PIPERIDINECARBOXAMIDE, 1-(1,3-dimethyl-2,6-dioxo-7-(2-(pyrimidin-2-ylthio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
| Molecular Formula | C19H24N8O3S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | -0.2823 |
| Topological Polar Surface Area | 133.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.16922 |
| Heavy Atoms | 31 |
| Complexity | 1224.9092 |
Chemical Identifiers
| CAS Number | 476482-47-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC=CC=N4 |
Product Overview
RefChem:419360 (CAS 476482-47-0), with molecular formula C19H24N8O3S and molecular weight 444.17 g/mol. IUPAC: 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of RefChem:419360
Property Insights of RefChem:419360
The XLogP value of -0.2823 indicates that RefChem:419360 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:419360. Following Lipinski's Rule of Five, RefChem:419360 has 1 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:419360?
The CAS number of RefChem:419360 is 476482-47-0.
What is the molecular formula of RefChem:419360?
The molecular formula of RefChem:419360 is C19H24N8O3S.
What is the molecular weight of RefChem:419360?
The molecular weight of RefChem:419360 is 444.17 g/mol.
Where can I buy RefChem:419360?
You can request a quote for RefChem:419360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:419360?
Yes, KEHONG BIO provides custom synthesis services for RefChem:419360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.