3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
TL;DR: 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione (CAS 838874-68-3) is a chemical compound with molecular formula C11H15N5O3 and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
Also Known As: BAS 09869155, 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione, 3-methyl-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione, F1699-0021, 1H-Purine-2,6-dione,3,7-dihydro-3-methyl-8-morpholinomethyl
| Molecular Formula | C11H15N5O3 |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1175 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 838874-68-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)CN3CCOCC3 |
| InChIKey | ZOAFSPUDOWFYSQ-UHFFFAOYSA-N |
Product Overview
3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione (CAS 838874-68-3), with molecular formula C11H15N5O3 and molecular weight 265.12 g/mol. IUPAC: 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
Property Insights of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione
The XLogP value of -1.1 indicates that 3-methyl-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 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione has 2 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-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The CAS number of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is 838874-68-3.
What is the molecular formula of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The molecular formula of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is C11H15N5O3.
What is the molecular weight of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
The molecular weight of 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione is 265.12 g/mol.
Where can I buy 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
You can request a quote for 3-methyl-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 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-(morpholin-4-ylmethyl)-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.