8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 115294-88-7) is a chemical compound with molecular formula C14H15N5O3 and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-anilino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 06503058, 8-anilino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione, 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure, 7-(2-hydroxyethyl)-3-methyl-8-(phenylamino)-1H-purine-2,6(3H,7H)-dione, AB00674040-01
| Molecular Formula | C14H15N5O3 |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 0.1592 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1175 |
| Heavy Atoms | 22 |
| Complexity | 923.2867 |
Chemical Identifiers
| CAS Number | 115294-88-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=CC=C3)CCO |
Product Overview
8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 115294-88-7), with molecular formula C14H15N5O3 and molecular weight 301.12 g/mol. IUPAC: 8-anilino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.1592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 3 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 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 115294-88-7.
What is the molecular formula of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C14H15N5O3.
What is the molecular weight of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 301.12 g/mol.
Where can I buy 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-Anilino-7-(2-hydroxyethyl)-3-methyl-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 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Anilino-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.