6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate
TL;DR: 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate (CAS 174455-55-1) is a chemical compound with molecular formula C15H22N4O4 and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate
Also Known As: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexan-2-yl Acetate, [(2S)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] acetate, (2S)-6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)hexan-2-yl acetate
| Molecular Formula | C15H22N4O4 |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 0.5556 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1641 |
| Heavy Atoms | 23 |
| Complexity | 830.3401 |
Chemical Identifiers
| CAS Number | 174455-55-1 |
|---|---|
| SMILES | CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C |
Product Overview
6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate (CAS 174455-55-1), with molecular formula C15H22N4O4 and molecular weight 322.16 g/mol. IUPAC: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate.
Chemical Property Profile of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate
Property Insights of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate
The XLogP value of 0.5556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate. Following Lipinski's Rule of Five, 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate has 0 hydrogen bond donor(s) and 5 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 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate?
The CAS number of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate is 174455-55-1.
What is the molecular formula of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate?
The molecular formula of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate is C15H22N4O4.
What is the molecular weight of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate?
The molecular weight of 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate is 322.16 g/mol.
Where can I buy 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate?
You can request a quote for 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.