1,3-Dimethylalloxan
TL;DR: 1,3-Dimethylalloxan (CAS 2757-85-9) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1,3-diazinane-2,4,5,6-tetrone
Also Known As: 1,3-Dimethylalloxan, Dimethylalloxan, N,N -Dimethylalloxan, Alloxan, 1,3-dimethyl-, 1,3-dimethyl-1,3-diazinane-2,4,5,6-tetrone
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 2757-85-9 |
|---|---|
| SMILES | CN1C(=O)C(=O)C(=O)N(C1=O)C |
| InChIKey | KUCNNTLJQCDKEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylalloxan (CAS 2757-85-9), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 1,3-dimethyl-1,3-diazinane-2,4,5,6-tetrone.
Chemical Property Profile of 1,3-Dimethylalloxan
Property Insights of 1,3-Dimethylalloxan
The XLogP value of -0.7 indicates that 1,3-Dimethylalloxan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethylalloxan. Following Lipinski's Rule of Five, 1,3-Dimethylalloxan 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-Dimethylalloxan?
The CAS number of 1,3-Dimethylalloxan is 2757-85-9.
What is the molecular formula of 1,3-Dimethylalloxan?
The molecular formula of 1,3-Dimethylalloxan is C6H6N2O4.
What is the molecular weight of 1,3-Dimethylalloxan?
The molecular weight of 1,3-Dimethylalloxan is 170.03 g/mol.
Where can I buy 1,3-Dimethylalloxan?
You can request a quote for 1,3-Dimethylalloxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylalloxan?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylalloxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.