8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 61034-15-9) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-anilino-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-phenylaminotheophylline, 8-anilino-1,3-dimethyl-7H-purine-2,6-dione, SDCCGMLS-0064465.P001, 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, NCI60_021301
| Molecular Formula | C13H13N5O2 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.10693 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 61034-15-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3 |
| InChIKey | RXCJTNUAETXUOY-UHFFFAOYSA-N |
Product Overview
8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 61034-15-9), with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol. IUPAC: 8-anilino-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-anilino-1,3-dimethyl-3,7-dihydro-1H-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 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 61034-15-9.
What is the molecular formula of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C13H13N5O2.
What is the molecular weight of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 271.11 g/mol.
Where can I buy 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-anilino-1,3-dimethyl-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-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.