1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione (CAS 587012-22-4) is a chemical compound with molecular formula C15H21N5O4 and molecular weight 335.16 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)-7-(2-oxopropyl)purine-2,6-dione
Also Known As: BAS 07401420, UPCMLD0ENAT5835674:001, 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione, F1717-0002, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-oxopropyl)purine-2,6-dione
| Molecular Formula | C15H21N5O4 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | -1.1451 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15936 |
| Heavy Atoms | 24 |
| Complexity | 901.19586 |
Chemical Identifiers
| CAS Number | 587012-22-4 |
|---|---|
| SMILES | CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 |
Product Overview
1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione (CAS 587012-22-4), with molecular formula C15H21N5O4 and molecular weight 335.16 g/mol. IUPAC: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -1.1451 indicates that 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 6 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-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione is 587012-22-4.
What is the molecular formula of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione is C15H21N5O4.
What is the molecular weight of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione is 335.16 g/mol.
Where can I buy 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-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-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(morpholinomethyl)-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.