![1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione structure](/static/products/578/578750-13-7.png)
1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
TL;DR: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 578750-13-7) is a chemical compound with molecular formula C18H20FN5O2 and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione, 1-(3-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1-(3-fluorobenzyl)-3,7-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H20FN5O2 |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1601 |
| Heavy Atoms | 26 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 578750-13-7 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)F)C |
| InChIKey | GGCQUPWIAOIJAY-UHFFFAOYSA-N |
Product Overview
1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 578750-13-7), with molecular formula C18H20FN5O2 and molecular weight 357.16 g/mol. IUPAC: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Property Insights of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The CAS number of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione is 578750-13-7.
What is the molecular formula of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular formula of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione is C18H20FN5O2.
What is the molecular weight of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular weight of 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione is 357.16 g/mol.
Where can I buy 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
You can request a quote for 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-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-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.