丙-2-炔-1-基N-乙基氨基甲酸酯
TL;DR: 丙-2-炔-1-基N-乙基氨基甲酸酯 (CAS 78194-70-4) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙-2-炔-1-基N-乙基氨基甲酸酯
prop-2-ynyl N-ethylcarbamate
Also Known As: prop-2-yn-1-yl ethylcarbamate, prop-2-ynyl N-ethylcarbamate
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 78194-70-4 |
|---|---|
| SMILES | CCNC(=O)OCC#C |
| InChIKey | ZTANAACTSXSQGJ-UHFFFAOYSA-N |
Product Overview
丙-2-炔-1-基N-乙基氨基甲酸酯 (CAS 78194-70-4), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: prop-2-ynyl N-ethylcarbamate.
Chemical Property Profile of 丙-2-炔-1-基N-乙基氨基甲酸酯
Property Insights of 丙-2-炔-1-基N-乙基氨基甲酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙-2-炔-1-基N-乙基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 丙-2-炔-1-基N-乙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙-2-炔-1-基N-乙基氨基甲酸酯 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
Frequently Asked Questions
What is the CAS number of 丙-2-炔-1-基N-乙基氨基甲酸酯?
The CAS number of 丙-2-炔-1-基N-乙基氨基甲酸酯 is 78194-70-4.
What is the molecular formula of 丙-2-炔-1-基N-乙基氨基甲酸酯?
The molecular formula of 丙-2-炔-1-基N-乙基氨基甲酸酯 is C6H9NO2.
What is the molecular weight of 丙-2-炔-1-基N-乙基氨基甲酸酯?
The molecular weight of 丙-2-炔-1-基N-乙基氨基甲酸酯 is 127.06 g/mol.
Where can I buy 丙-2-炔-1-基N-乙基氨基甲酸酯?
You can request a quote for 丙-2-炔-1-基N-乙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙-2-炔-1-基N-乙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙-2-炔-1-基N-乙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.