![({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid structure](/static/products/303/303970-65-2.png)
({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
TL;DR: ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid (CAS 303970-65-2) is a chemical compound with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
Also Known As: ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid, ({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid, 2-[7-(2-hydroxy-3-naphthalen-1-yloxy-propyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic Acid, 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
| Molecular Formula | C21H20N4O6S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 1.1931 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.11035 |
| Heavy Atoms | 32 |
| Complexity | 1418.3408 |
Chemical Identifiers
| CAS Number | 303970-65-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(COC3=CC=CC4=CC=CC=C43)O |
Product Overview
({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid (CAS 303970-65-2), with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol. IUPAC: 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid.
Chemical Property Profile of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Property Insights of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
The XLogP value of 1.1931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid. The TPSA of 139.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic 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 ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid?
The CAS number of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid is 303970-65-2.
What is the molecular formula of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid?
The molecular formula of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid is C21H20N4O6S.
What is the molecular weight of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid?
The molecular weight of ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid is 456.11 g/mol.
Where can I buy ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid?
You can request a quote for ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.