![2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid structure](/static/products/8539/85394-14-5.webp)
2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
TL;DR: 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid (CAS 85394-14-5) is a chemical compound with molecular formula C14H23NO3 and molecular weight 253.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
Also Known As: MK 789, 3-Pentyl-2-(dimethylcyclopropylcarboxoxamido)propenoate, 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid, (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
| Molecular Formula | C14H23NO3 |
|---|---|
| Molecular Weight | 253.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.1678 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 85394-14-5 |
|---|---|
| SMILES | CCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C |
| InChIKey | WIESNNVNXBYTFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid (CAS 85394-14-5), with molecular formula C14H23NO3 and molecular weight 253.17 g/mol. IUPAC: 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid.
Chemical Property Profile of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
Property Insights of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
The XLogP value of 3.3 indicates that 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid. Following Lipinski's Rule of Five, 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid has 2 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 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid?
The CAS number of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid is 85394-14-5.
What is the molecular formula of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid?
The molecular formula of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid is C14H23NO3.
What is the molecular weight of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid?
The molecular weight of 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid is 253.17 g/mol.
Where can I buy 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid?
You can request a quote for 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.