7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione (CAS 34594-93-9) 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.
7-benzyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
Also Known As: 7-benzyl-8-methylaminotheophylline, BAS 01547273, UPCMLD0ENAT5732006:001, VU0209952-4, 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H17N5O2 |
|---|---|
| Molecular Weight | 299.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.1382 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 34594-93-9 |
|---|---|
| SMILES | CNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
| InChIKey | ZWLMJQXTLIZYRX-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione (CAS 34594-93-9), with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione.
Chemical Property Profile of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione 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 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione is 34594-93-9.
What is the molecular formula of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione is C15H17N5O2.
What is the molecular weight of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione is 299.14 g/mol.
Where can I buy 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-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 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.