6-Imino-1,9-dimethyl-8-oxopurine
TL;DR: 6-Imino-1,9-dimethyl-8-oxopurine (CAS 98601-16-2) is a chemical compound with molecular formula C7H9N5O and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-1,9-dimethyl-7H-purin-8-one
Also Known As: 6-Imino-1,9-dimethyl-8-oxopurine, 6-imino-1,9-dimethyl-7H-purin-8-one, 6-Imino-1,9-dimethyl-7,9-dihydro-1H-purin-8(6H)-one, 6-Imino-1,9-dimethyl-1,6-dihydro-7H-purin-8(9H)-one, 6-Imino-6,7-dihydro-1,9-dimethyl-1H-purin-8(9H)-one
| Molecular Formula | C7H9N5O |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0807 |
| Heavy Atoms | 13 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 98601-16-2 |
|---|---|
| SMILES | CN1C=NC2=C(C1=N)NC(=O)N2C |
| InChIKey | JDXRLMZGVHMKHS-UHFFFAOYSA-N |
Product Overview
6-Imino-1,9-dimethyl-8-oxopurine (CAS 98601-16-2), with molecular formula C7H9N5O and molecular weight 179.08 g/mol. IUPAC: 6-imino-1,9-dimethyl-7H-purin-8-one.
Chemical Property Profile of 6-Imino-1,9-dimethyl-8-oxopurine
Property Insights of 6-Imino-1,9-dimethyl-8-oxopurine
The XLogP value of -1.2 indicates that 6-Imino-1,9-dimethyl-8-oxopurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Imino-1,9-dimethyl-8-oxopurine. Following Lipinski's Rule of Five, 6-Imino-1,9-dimethyl-8-oxopurine has 2 hydrogen bond donor(s) and 3 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-Imino-1,9-dimethyl-8-oxopurine?
The CAS number of 6-Imino-1,9-dimethyl-8-oxopurine is 98601-16-2.
What is the molecular formula of 6-Imino-1,9-dimethyl-8-oxopurine?
The molecular formula of 6-Imino-1,9-dimethyl-8-oxopurine is C7H9N5O.
What is the molecular weight of 6-Imino-1,9-dimethyl-8-oxopurine?
The molecular weight of 6-Imino-1,9-dimethyl-8-oxopurine is 179.08 g/mol.
Where can I buy 6-Imino-1,9-dimethyl-8-oxopurine?
You can request a quote for 6-Imino-1,9-dimethyl-8-oxopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Imino-1,9-dimethyl-8-oxopurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Imino-1,9-dimethyl-8-oxopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.