RefChem:449766
TL;DR: RefChem:449766 (CAS 476481-80-8) is a chemical compound with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
Also Known As: 2-{[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide, AB00673620-01, 2-((7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide, F1191-0146
| Molecular Formula | C18H21N5O4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 1.1906 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.13144 |
| Heavy Atoms | 28 |
| Complexity | 1087.0344 |
Chemical Identifiers
| CAS Number | 476481-80-8 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
RefChem:449766 (CAS 476481-80-8), with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol. IUPAC: 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of RefChem:449766
Property Insights of RefChem:449766
The XLogP value of 1.1906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:449766. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449766. Following Lipinski's Rule of Five, RefChem:449766 has 2 hydrogen bond donor(s) and 6 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:449766?
The CAS number of RefChem:449766 is 476481-80-8.
What is the molecular formula of RefChem:449766?
The molecular formula of RefChem:449766 is C18H21N5O4S.
What is the molecular weight of RefChem:449766?
The molecular weight of RefChem:449766 is 403.13 g/mol.
Where can I buy RefChem:449766?
You can request a quote for RefChem:449766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449766?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.