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6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
TL;DR: 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one (CAS 19157-65-4) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione
Also Known As: 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one, NCIOpen2_004777, 6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione, 6-Benzyl-5,6-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4,7(3H)-trione, 6-benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7-one
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 19157-65-4 |
|---|---|
| SMILES | C1C2=C(C(=O)N1CC3=CC=CC=C3)NC(=O)NC2=O |
| InChIKey | ILMDMEXCJKULNN-UHFFFAOYSA-N |
Product Overview
6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one (CAS 19157-65-4), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione.
Chemical Property Profile of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
Property Insights of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one
The XLogP value of -0.2 indicates that 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one has 2 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 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one?
The CAS number of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one is 19157-65-4.
What is the molecular formula of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one?
The molecular formula of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one is C13H11N3O3.
What is the molecular weight of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one?
The molecular weight of 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one is 257.08 g/mol.
Where can I buy 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one?
You can request a quote for 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.