methyl N-(prop-2-yn-1-yl)carbamate
TL;DR: methyl N-(prop-2-yn-1-yl)carbamate (CAS 139372-09-1) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.047676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-prop-2-ynylcarbamate
Also Known As: methyl N-(prop-2-yn-1-yl)carbamate, methyl N-prop-2-ynylcarbamate, methyl prop-2-yn-1-ylcarbamate, methyl prop-2-ynylcarbamate, Propargylcarbamic acid methyl ester
Technical Specifications
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.047676 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.047676 Da |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
| SMILES | COC(=O)NCC#C |
| InChIKey | TVXCRKVVJMSNLG-UHFFFAOYSA-N |
Chemical Property Profile of methyl N-(prop-2-yn-1-yl)carbamate
Property Insights of methyl N-(prop-2-yn-1-yl)carbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(prop-2-yn-1-yl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, methyl N-(prop-2-yn-1-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(prop-2-yn-1-yl)carbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl N-(prop-2-yn-1-yl)carbamate?
The CAS number of methyl N-(prop-2-yn-1-yl)carbamate is 139372-09-1.
What is the molecular formula of methyl N-(prop-2-yn-1-yl)carbamate?
The molecular formula of methyl N-(prop-2-yn-1-yl)carbamate is C5H7NO2.
What is the molecular weight of methyl N-(prop-2-yn-1-yl)carbamate?
The molecular weight of methyl N-(prop-2-yn-1-yl)carbamate is 113.047676 g/mol.
Where can I buy methyl N-(prop-2-yn-1-yl)carbamate?
You can request a quote for methyl N-(prop-2-yn-1-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-(prop-2-yn-1-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for methyl N-(prop-2-yn-1-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.