![2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile structure](/static/products/4706/470695-64-8.webp)
2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
TL;DR: 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile (CAS 470695-64-8) is a chemical compound with molecular formula C12H10BrN3O2 and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
Also Known As: MixCom6_001746, BIM-0032099.P001, 2-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile, {[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetonitrile, 2-((1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl)amino)acetonitrile
| Molecular Formula | C12H10BrN3O2 |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 1.19418 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.99564 |
| Heavy Atoms | 18 |
| Complexity | 521.1192 |
Chemical Identifiers
| CAS Number | 470695-64-8 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)NCC#N |
Product Overview
2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile (CAS 470695-64-8), with molecular formula C12H10BrN3O2 and molecular weight 307.00 g/mol. IUPAC: 2-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile.
Chemical Property Profile of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
Property Insights of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
The XLogP value of 1.19418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile. Following Lipinski's Rule of Five, 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile 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-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile?
The CAS number of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile is 470695-64-8.
What is the molecular formula of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile?
The molecular formula of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile is C12H10BrN3O2.
What is the molecular weight of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile?
The molecular weight of 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile is 307.00 g/mol.
Where can I buy 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile?
You can request a quote for 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]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-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.