2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide (CAS 41838-25-9) is a chemical compound with molecular formula C9H12N6O3 and molecular weight 252.10 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)acetohydrazide
Also Known As: theophylline-7-acetohydrazide, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetohydrazide, 1,3-dimethyl-7-(???methyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C9H12N6O3 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | -2.5764 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.09709 |
| Heavy Atoms | 18 |
| Complexity | 737.0665 |
Chemical Identifiers
| CAS Number | 41838-25-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide (CAS 41838-25-9), with molecular formula C9H12N6O3 and molecular weight 252.10 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetohydrazide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
The XLogP value of -2.5764 indicates that 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide 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-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide is 41838-25-9.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide is C9H12N6O3.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide is 252.10 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide 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-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.