2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile
TL;DR: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile (CAS 327101-26-8) is a chemical compound with molecular formula C15H12BrN5O2 and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetonitrile
Also Known As: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile, 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetonitrile, 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetonitrile
| Molecular Formula | C15H12BrN5O2 |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 1.23108 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.01743 |
| Heavy Atoms | 23 |
| Complexity | 1040.1353 |
Chemical Identifiers
| CAS Number | 327101-26-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC#N |
Product Overview
2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile (CAS 327101-26-8), with molecular formula C15H12BrN5O2 and molecular weight 373.02 g/mol. IUPAC: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetonitrile.
Chemical Property Profile of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile
Property Insights of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile
The XLogP value of 1.23108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile has 0 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-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile?
The CAS number of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile is 327101-26-8.
What is the molecular formula of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile?
The molecular formula of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile is C15H12BrN5O2.
What is the molecular weight of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile?
The molecular weight of 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile is 373.02 g/mol.
Where can I buy 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile?
You can request a quote for 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.