1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847852-66-8) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8-morpholin-4-yl-3-phenyl-7H-purine-2,6-dione
Also Known As: 1-methyl-8-morpholin-4-yl-3-phenyl-7H-purine-2,6-dione, 1-methyl-8-morpholino-3-phenyl-1H-purine-2,6(3H,7H)-dione, 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 847852-66-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C(N2)N3CCOCC3)N(C1=O)C4=CC=CC=C4 |
| InChIKey | JKVPMAYGQXJTCX-UHFFFAOYSA-N |
Product Overview
1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847852-66-8), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 1-methyl-8-morpholin-4-yl-3-phenyl-7H-purine-2,6-dione.
Chemical Property Profile of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-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-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione is 847852-66-8.
What is the molecular formula of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione is C16H17N5O3.
What is the molecular weight of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione is 327.13 g/mol.
Where can I buy 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-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 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-8-(morpholin-4-yl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.