2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
TL;DR: 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide (CAS 313470-22-3) is a chemical compound with molecular formula C15H14BrN5O3 and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetamide
Also Known As: 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide, BAS 00451741, AB00684240-01, 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetamide, F0381-2868
| Molecular Formula | C15H14BrN5O3 |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | 0.1928 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.028 |
| Heavy Atoms | 24 |
| Complexity | 1048.8872 |
Chemical Identifiers
| CAS Number | 313470-22-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C(=N2)Br)CC3=CC=CC=C3 |
Product Overview
2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide (CAS 313470-22-3), with molecular formula C15H14BrN5O3 and molecular weight 391.03 g/mol. IUPAC: 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetamide.
Chemical Property Profile of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
Property Insights of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
The XLogP value of 0.1928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide. Following Lipinski's Rule of Five, 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide 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 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide?
The CAS number of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide is 313470-22-3.
What is the molecular formula of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide?
The molecular formula of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide is C15H14BrN5O3.
What is the molecular weight of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide?
The molecular weight of 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide is 391.03 g/mol.
Where can I buy 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide?
You can request a quote for 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.