![2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile structure](/static/products/872/872590-89-1.png)
2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile
TL;DR: 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile (CAS 872590-89-1) is a chemical compound with molecular formula C12H7BrN6O and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile
Also Known As: F1876-0386, 2-[3-(4-bromophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetonitrile, 2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile, 2-(3-(4-bromophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetonitrile, 2-(3-(4-bromophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetonitrile
| Molecular Formula | C12H7BrN6O |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 1.26328 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98648 |
| Heavy Atoms | 20 |
| Complexity | 873.5843 |
Chemical Identifiers
| CAS Number | 872590-89-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C(=O)N(C=N3)CC#N)N=N2)Br |
Product Overview
2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile (CAS 872590-89-1), with molecular formula C12H7BrN6O and molecular weight 329.99 g/mol. IUPAC: 2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile.
Chemical Property Profile of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile
Property Insights of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile
The XLogP value of 1.26328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile has 0 hydrogen bond donor(s) and 5 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-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile?
The CAS number of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile is 872590-89-1.
What is the molecular formula of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile?
The molecular formula of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile is C12H7BrN6O.
What is the molecular weight of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile?
The molecular weight of 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile is 329.99 g/mol.
Where can I buy 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile?
You can request a quote for 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-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-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.