2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide (CAS 105208-34-2) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 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-propan-2-ylacetamide
Also Known As: BAS 01129984, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(propan-2-yl)acetamide, 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)-N-ISOPROPYLACETAMIDE
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 105208-34-2 |
|---|---|
| SMILES | CC(C)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | LBEHGLCKLIRAHI-UHFFFAOYSA-N |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide (CAS 105208-34-2), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide
The XLogP value of -0.2 indicates that 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide has 1 hydrogen bond donor(s) and 4 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-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide is 105208-34-2.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide is C12H17N5O3.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide is 279.13 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-isopropylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.