3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione (CAS 5089-89-4) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione
Also Known As: Xanturil, 7-Morpholinomethyltheophylline, 1,3-Dimethyl-7-morpholinomethylxanthine, Theophylline, 7-(morpholinomethyl)-, 1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 5089-89-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CCOCC3 |
| InChIKey | HGLLQAPXHCAZBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione (CAS 5089-89-4), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
The XLogP value of -0.8 indicates that 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione 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 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione is 5089-89-4.
What is the molecular formula of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione is C12H17N5O3.
What is the molecular weight of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione is 279.13 g/mol.
Where can I buy 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.