![2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile structure](/static/products/4991/499100-21-9.webp)
2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
TL;DR: 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile (CAS 499100-21-9) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
Also Known As: BAS 00866934, 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile, [2,5-Dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-ylamino]-acetonitrile, {[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino}acetonitrile, 2-((2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)amino)acetonitrile
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 1.22048 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 562.5217 |
Chemical Identifiers
| CAS Number | 499100-21-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N |
Product Overview
2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile (CAS 499100-21-9), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile.
Chemical Property Profile of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
Property Insights of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
The XLogP value of 1.22048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile. Following Lipinski's Rule of Five, 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile has 1 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-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile?
The CAS number of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile is 499100-21-9.
What is the molecular formula of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile?
The molecular formula of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile is C15H17N3O3.
What is the molecular weight of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile?
The molecular weight of 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile is 287.13 g/mol.
Where can I buy 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile?
You can request a quote for 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-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-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.