N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯
TL;DR: N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 (CAS 89434-49-1) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯
ethyl N-(3-methylpent-1-yn-3-yl)carbamate
Also Known As: NCIOpen2_000247, ethyl N-(3-methylpent-1-yn-3-yl)carbamate, ethyl(3-methylpent-1-yn-3-yl)carbamate, ethyl (3-methylpent-1-yn-3-yl)carbamate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 89434-49-1 |
|---|---|
| SMILES | CCC(C)(C#C)NC(=O)OCC |
| InChIKey | JPUVKBJUXLQNNT-UHFFFAOYSA-N |
Product Overview
N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 (CAS 89434-49-1), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: ethyl N-(3-methylpent-1-yn-3-yl)carbamate.
Chemical Property Profile of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯
Property Insights of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 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 N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯?
The CAS number of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 is 89434-49-1.
What is the molecular formula of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯?
The molecular formula of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 is C9H15NO2.
What is the molecular weight of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯?
The molecular weight of N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 is 169.11 g/mol.
Where can I buy N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯?
You can request a quote for N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(3-甲基戊-1-炔-3-基)氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.