![2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid structure](/static/products/3163/316358-03-9.webp)
2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
TL;DR: 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid (CAS 316358-03-9) is a chemical compound with molecular formula C17H18N4O6S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
Also Known As: 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid, {[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid, 2-[7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic Acid, 2-((7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid
| Molecular Formula | C17H18N4O6S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 0.0399 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.0947 |
| Heavy Atoms | 28 |
| Complexity | 1104.5184 |
Chemical Identifiers
| CAS Number | 316358-03-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(COC3=CC=CC=C3)O |
Product Overview
2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid (CAS 316358-03-9), with molecular formula C17H18N4O6S and molecular weight 406.09 g/mol. IUPAC: 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid.
Chemical Property Profile of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
Property Insights of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
The XLogP value of 0.0399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid. The TPSA of 139.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid has 3 hydrogen bond donor(s) and 7 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 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid?
The CAS number of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid is 316358-03-9.
What is the molecular formula of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid?
The molecular formula of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid is C17H18N4O6S.
What is the molecular weight of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid?
The molecular weight of 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid is 406.09 g/mol.
Where can I buy 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid?
You can request a quote for 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.