2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate
TL;DR: 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate (CAS 91553-92-3) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-prop-2-ynylcyclooctyl) carbamate
Also Known As: 1-(2-Propynyl)cyclooctanol carbamate, (2-prop-2-ynylcyclooctyl) carbamate, Cyclooctanol, 1-(2-proynyl)-, carbamate, 1-(2-Propynyl)cyclooctyl ester of carbamic acid, 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 91553-92-3 |
|---|---|
| SMILES | C#CCC1CCCCCCC1OC(=O)N |
| InChIKey | UMEKLLKXLKXVJK-UHFFFAOYSA-N |
Product Overview
2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate (CAS 91553-92-3), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: (2-prop-2-ynylcyclooctyl) carbamate.
Chemical Property Profile of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate
Property Insights of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate. With a topological polar surface area (TPSA) of 52.3 Ų, 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Prop-2-yn-1-yl)cyclooctyl 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 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate?
The CAS number of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate is 91553-92-3.
What is the molecular formula of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate?
The molecular formula of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate is C12H19NO2.
What is the molecular weight of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate?
The molecular weight of 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate is 209.14 g/mol.
Where can I buy 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate?
You can request a quote for 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Prop-2-yn-1-yl)cyclooctyl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.