2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol
TL;DR: 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol (CAS 112767-69-8) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
Also Known As: 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol, 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(1,1-dimethyl-2-hydroxyethyl)-2,6-dioxo-, 7H-Purine-7-acetamide,1,2,3,6-tetrahydro-N-(2-hydroxy-1,1-dimethylethyl)-1,3-dimethyl-2,6-dioxo-, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide, 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | -1.6792 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 842.4581 |
Chemical Identifiers
| CAS Number | 112767-69-8 |
|---|---|
| SMILES | CC(C)(CO)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol (CAS 112767-69-8), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
Chemical Property Profile of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol
Property Insights of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol
The XLogP value of -1.6792 indicates that 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol. Following Lipinski's Rule of Five, 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol 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 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol?
The CAS number of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol is 112767-69-8.
What is the molecular formula of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol?
The molecular formula of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol is C13H19N5O4.
What is the molecular weight of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol?
The molecular weight of 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol is 309.14 g/mol.
Where can I buy 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol?
You can request a quote for 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.