(2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯
TL;DR: (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 (CAS 139953-61-0) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯
(2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate
Also Known As: (2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate, NCI60_011612, 1-(((2-Propynylamino)carbonyl)oxy)-2,5-pyrrolidinedione, 2,5-Dioxopyrrolidin-1-yl prop-2-yn-1-ylcarbamate, 2,5-Pyrrolidinedione, 1-[[(2-propynylamino)carbonyl]oxy]-
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 139953-61-0 |
|---|---|
| SMILES | C#CCNC(=O)ON1C(=O)CCC1=O |
| InChIKey | MYMRMWYUCXLDAA-UHFFFAOYSA-N |
Product Overview
(2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 (CAS 139953-61-0), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate.
Chemical Property Profile of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯
Property Insights of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯
The XLogP value of -0.8 indicates that (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯. Following Lipinski's Rule of Five, (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 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 (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯?
The CAS number of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 is 139953-61-0.
What is the molecular formula of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯?
The molecular formula of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 is C8H8N2O4.
What is the molecular weight of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯?
The molecular weight of (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 is 196.05 g/mol.
Where can I buy (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯?
You can request a quote for (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for (2,5-二氧代吡咯烷-1-基) N-丙-2-炔基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.