2-(2-Adamantylidene)-2-cyanoacetic acid
TL;DR: 2-(2-Adamantylidene)-2-cyanoacetic acid (CAS 5355-69-1) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-adamantylidene)-2-cyanoacetic acid
Also Known As: Adamantylidencyanessigsaeure, 2-(2-adamantylidene)-2-cyanoacetic acid, 2-Adamantyliden-cyanessigsaeure, 2-(adamantan-2-ylidene)-2-cyanoacetic acid, Cyano(tricyclo[3.3.1.1(3,7)]dec-2-ylidene)acetic acid
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.34728 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 386.13876 |
Chemical Identifiers
| CAS Number | 5355-69-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3=C(C#N)C(=O)O |
Product Overview
2-(2-Adamantylidene)-2-cyanoacetic acid (CAS 5355-69-1), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-(2-adamantylidene)-2-cyanoacetic acid.
Chemical Property Profile of 2-(2-Adamantylidene)-2-cyanoacetic acid
Property Insights of 2-(2-Adamantylidene)-2-cyanoacetic acid
The XLogP value of 2.34728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Adamantylidene)-2-cyanoacetic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Adamantylidene)-2-cyanoacetic acid. Following Lipinski's Rule of Five, 2-(2-Adamantylidene)-2-cyanoacetic acid 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-(2-Adamantylidene)-2-cyanoacetic acid?
The CAS number of 2-(2-Adamantylidene)-2-cyanoacetic acid is 5355-69-1.
What is the molecular formula of 2-(2-Adamantylidene)-2-cyanoacetic acid?
The molecular formula of 2-(2-Adamantylidene)-2-cyanoacetic acid is C13H15NO2.
What is the molecular weight of 2-(2-Adamantylidene)-2-cyanoacetic acid?
The molecular weight of 2-(2-Adamantylidene)-2-cyanoacetic acid is 217.11 g/mol.
Where can I buy 2-(2-Adamantylidene)-2-cyanoacetic acid?
You can request a quote for 2-(2-Adamantylidene)-2-cyanoacetic 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-Adamantylidene)-2-cyanoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Adamantylidene)-2-cyanoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.