![1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide structure](/static/products/960/960-17-8.png)
1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide
TL;DR: 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide (CAS 960-17-8) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',3'-dimethyl-7'-oxidospiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione
Also Known As: 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide, 1',3'-dimethyl-7'-oxido-spiro[cyclohexane-1,8'-purine]-2',6'-dione, 1',3'-dimethyl-7'-oxidospiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione
| Molecular Formula | C12H16N4O3 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | -1.6335 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.12225 |
| Heavy Atoms | 19 |
| Complexity | 780.9083 |
Chemical Identifiers
| CAS Number | 960-17-8 |
|---|---|
| SMILES | CN1C2=NC3(CCCCC3)[N+](=C2C(=O)N(C1=O)C)[O-] |
Product Overview
1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide (CAS 960-17-8), with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol. IUPAC: 1',3'-dimethyl-7'-oxidospiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione.
Chemical Property Profile of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide
Property Insights of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide
The XLogP value of -1.6335 indicates that 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide. Following Lipinski's Rule of Five, 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide has 0 hydrogen bond donor(s) and 4 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 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide?
The CAS number of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide is 960-17-8.
What is the molecular formula of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide?
The molecular formula of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide is C12H16N4O3.
What is the molecular weight of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide?
The molecular weight of 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide is 264.12 g/mol.
Where can I buy 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide?
You can request a quote for 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1',3'-dimethylspiro[cyclohexane-1,8'-purine]-2',6'(1'H,3'H)-dione 7'-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.