![1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione structure](/static/products/810/81014-01-9.png)
1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione (CAS 81014-01-9) is a chemical compound with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione
Also Known As: 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione, F2589-1324, 1,3-dimethyl-8-((p-tolylamino)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[[(4-methylphenyl)amino]methyl]-7H-purine-2,6-dione, 1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C15H17N5O2 |
|---|---|
| Molecular Weight | 299.14 g/mol |
| LogP | 0.88082 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.1382 |
| Heavy Atoms | 22 |
| Complexity | 946.95374 |
Chemical Identifiers
| CAS Number | 81014-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione (CAS 81014-01-9), with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione
The XLogP value of 0.88082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione has 2 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 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione is 81014-01-9.
What is the molecular formula of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione is C15H17N5O2.
What is the molecular weight of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione is 299.14 g/mol.
Where can I buy 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-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 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-[(4-methylanilino)methyl]-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.