![3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one structure](/static/products/1718/171823-63-5.webp)
3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one
TL;DR: 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one (CAS 171823-63-5) is a chemical compound with molecular formula C15H14N4O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one
Also Known As: 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one, 2-benzyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one, AH-262/36680023
| Molecular Formula | C15H14N4O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.11676 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 171823-63-5 |
|---|---|
| SMILES | C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC4=CC=CC=C4 |
| InChIKey | JGGFEQHXSNEDMV-UHFFFAOYSA-N |
Product Overview
3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one (CAS 171823-63-5), with molecular formula C15H14N4O and molecular weight 266.12 g/mol. IUPAC: 2-benzyl-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one.
Chemical Property Profile of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one
Property Insights of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one. With a topological polar surface area (TPSA) of 50.5 Ų, 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one has 0 hydrogen bond donor(s) and 3 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 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one?
The CAS number of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one is 171823-63-5.
What is the molecular formula of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one?
The molecular formula of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one is C15H14N4O.
What is the molecular weight of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one?
The molecular weight of 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one is 266.12 g/mol.
Where can I buy 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one?
You can request a quote for 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.