Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester
TL;DR: Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester (CAS 25694-16-0) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-adamantyl)-2-cyanoacetate
Also Known As: Ethyl (adamantan-2-yl)(cyano)acetate, ethyl 2-(2-adamantyl)-2-cyanoacetate, Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester, Adamantaneacetic acid, .delta.-[2(.alpha.)]-.alpha.-cyano-, ethyl ester, Tricyclo[3.3.1.13,7]decane-2-acetic acid, .alpha.-cyano-ethyl ester
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 25694-16-0 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1C2CC3CC(C2)CC1C3 |
| InChIKey | NKQDZOMRNCAJHD-UHFFFAOYSA-N |
Product Overview
Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester (CAS 25694-16-0), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: ethyl 2-(2-adamantyl)-2-cyanoacetate.
Chemical Property Profile of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester
Property Insights of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester
The XLogP value of 3.7 indicates that Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester has 0 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 Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester?
The CAS number of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester is 25694-16-0.
What is the molecular formula of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester?
The molecular formula of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester is C15H21NO2.
What is the molecular weight of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester?
The molecular weight of Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester is 247.16 g/mol.
Where can I buy Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester?
You can request a quote for Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Adamantaneacetic acid, d<2,alpha,alpha-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.