![7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione structure](/static/products/4426/442632-22-6.webp)
7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
TL;DR: 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione (CAS 442632-22-6) is a chemical compound with molecular formula C23H31N5O4 and molecular weight 441.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: ChemDiv1_018572, 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione, A2704/0115017, 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholino-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(morpholin-4-yl)-7-[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H31N5O4 |
|---|---|
| Molecular Weight | 441.24 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.2376 |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 442632-22-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C45CC6CC(C4)CC(C6)C5 |
| InChIKey | BEYFYVKTSHNZIL-UHFFFAOYSA-N |
Product Overview
7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione (CAS 442632-22-6), with molecular formula C23H31N5O4 and molecular weight 441.24 g/mol. IUPAC: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Property Insights of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-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 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione?
The CAS number of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione is 442632-22-6.
What is the molecular formula of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione?
The molecular formula of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione is C23H31N5O4.
What is the molecular weight of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione?
The molecular weight of 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione is 441.24 g/mol.
Where can I buy 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione?
You can request a quote for 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-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 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(1-Adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.