![1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/7499/7499-93-6.webp)
1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 7499-93-6) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione
Also Known As: ChemDiv2_003836, 8-[(2-Phenylethyl)Amino]Caffeine, IDI1_002551, BAS 04239156, BIM-0046916.P001
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 7499-93-6 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
| InChIKey | PDMRCZKKXHBCCP-UHFFFAOYSA-N |
Product Overview
1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione (CAS 7499-93-6), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 1,3,7-trimethyl-8-(2-phenylethylamino)purine-2,6-dione.
Chemical Property Profile of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-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 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 7499-93-6.
What is the molecular formula of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione is C16H19N5O2.
What is the molecular weight of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione is 313.15 g/mol.
Where can I buy 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-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 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-trimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.