1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
TL;DR: 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate (CAS 5401-47-8) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexylprop-2-ynyl carbamate
Also Known As: alpha-Ethynylcyclohexanemethanol carbamate, 1-cyclohexylprop-2-ynyl carbamate, 1-cyclohexylprop-2-yn-1-yl carbamate, Cyclohexanemethanol, alpha-ethynyl-, carbamate, 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5401-47-8 |
|---|---|
| SMILES | C#CC(C1CCCCC1)OC(=O)N |
| InChIKey | SZRPREBYFLNHLL-UHFFFAOYSA-N |
Product Overview
1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate (CAS 5401-47-8), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 1-cyclohexylprop-2-ynyl carbamate.
Chemical Property Profile of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
Property Insights of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate 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 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate?
The CAS number of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate is 5401-47-8.
What is the molecular formula of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate?
The molecular formula of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate is C10H15NO2.
What is the molecular weight of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate?
The molecular weight of 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate is 181.11 g/mol.
Where can I buy 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate?
You can request a quote for 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.