![8-[(3-Phenylpropyl)Amino]Caffeine structure](/static/products/3646/364615-92-9.webp)
8-[(3-Phenylpropyl)Amino]Caffeine
TL;DR: 8-[(3-Phenylpropyl)Amino]Caffeine (CAS 364615-92-9) is a chemical compound with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione
Also Known As: 8-[(3-Phenylpropyl)Amino]Caffeine, 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione, 1,3,7-Trimethyl-8-[(3-phenylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3,7-Trimethyl-8-((3-phenylpropyl)amino)-3,7-dihydro-1h-purine-2,6-dione, 1,3,7-trimethyl-8-[(3-phenylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H21N5O2 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 1.0154 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.16953 |
| Heavy Atoms | 24 |
| Complexity | 982.114 |
Chemical Identifiers
| CAS Number | 364615-92-9 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C |
Product Overview
8-[(3-Phenylpropyl)Amino]Caffeine (CAS 364615-92-9), with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol. IUPAC: 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione.
Chemical Property Profile of 8-[(3-Phenylpropyl)Amino]Caffeine
Property Insights of 8-[(3-Phenylpropyl)Amino]Caffeine
The XLogP value of 1.0154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(3-Phenylpropyl)Amino]Caffeine. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(3-Phenylpropyl)Amino]Caffeine. Following Lipinski's Rule of Five, 8-[(3-Phenylpropyl)Amino]Caffeine 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 8-[(3-Phenylpropyl)Amino]Caffeine?
The CAS number of 8-[(3-Phenylpropyl)Amino]Caffeine is 364615-92-9.
What is the molecular formula of 8-[(3-Phenylpropyl)Amino]Caffeine?
The molecular formula of 8-[(3-Phenylpropyl)Amino]Caffeine is C17H21N5O2.
What is the molecular weight of 8-[(3-Phenylpropyl)Amino]Caffeine?
The molecular weight of 8-[(3-Phenylpropyl)Amino]Caffeine is 327.17 g/mol.
Where can I buy 8-[(3-Phenylpropyl)Amino]Caffeine?
You can request a quote for 8-[(3-Phenylpropyl)Amino]Caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(3-Phenylpropyl)Amino]Caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-[(3-Phenylpropyl)Amino]Caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.