1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione (CAS 108871-83-6) 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-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
Also Known As: BAS 07401463, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione, 1,3-dimethyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione, F1468-0043, 1,3-dimethyl-8-(morpholinomethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -1.2075 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 750.76416 |
Chemical Identifiers
| CAS Number | 108871-83-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN3CCOCC3 |
Product Overview
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione (CAS 108871-83-6), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
The XLogP value of -1.2075 indicates that 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione has 1 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 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is 108871-83-6.
What is the molecular formula of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is C12H17N5O3.
What is the molecular weight of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is 279.13 g/mol.
Where can I buy 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-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 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.