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9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
TL;DR: 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CAS 714243-82-0) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5896148:001, 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-benzyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, VU0355046-2, 9-benzyl-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C16H17N5O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 0.8336 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.1382 |
| Heavy Atoms | 23 |
| Complexity | 983.35864 |
Chemical Identifiers
| CAS Number | 714243-82-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CC4=CC=CC=C4 |
Product Overview
9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CAS 714243-82-0), with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol. IUPAC: 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Property Insights of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
The XLogP value of 0.8336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-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 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The CAS number of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is 714243-82-0.
What is the molecular formula of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The molecular formula of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is C16H17N5O2.
What is the molecular weight of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The molecular weight of 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is 311.14 g/mol.
Where can I buy 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
You can request a quote for 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.