4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯
TL;DR: 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 (CAS 16160-66-0) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯
4-pyrrolidin-1-ylbut-2-ynyl carbamate
Also Known As: 6-difluorophenyl-alanine, 4-Pyrrolidino-2-butynyl carbamate, 4-(1-Pyrrolidinyl)-2-butyn-1-ol carbamate, 4-pyrrolidin-1-ylbut-2-ynyl carbamate, 4-(pyrrolidin-1-yl)but-2-yn-1-yl carbamate
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 16160-66-0 |
|---|---|
| SMILES | C1CCN(C1)CC#CCOC(=O)N |
| InChIKey | LLNAEUTZECOHOM-UHFFFAOYSA-N |
Product Overview
4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 (CAS 16160-66-0), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl carbamate.
Chemical Property Profile of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯
Property Insights of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯. With a topological polar surface area (TPSA) of 55.6 Ų, 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 has 1 hydrogen bond donor(s) and 3 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 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯?
The CAS number of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 is 16160-66-0.
What is the molecular formula of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯?
The molecular formula of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 is C9H14N2O2.
What is the molecular weight of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯?
The molecular weight of 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 is 182.11 g/mol.
Where can I buy 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯?
You can request a quote for 4-(1-吡咯烷基)-2-丁炔-1-醇 1-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 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-吡咯烷基)-2-丁炔-1-醇 1-氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.