2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate
TL;DR: 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate (CAS 473607-26-0) is a chemical compound with molecular formula C19H22FNO3 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate
Also Known As: 2-(2-fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate, AN-698/42111033, [2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate, 2-[(2-fluorophenyl)amino]-2-oxoethyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
| Molecular Formula | C19H22FNO3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 3.5238 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1584 |
| Heavy Atoms | 24 |
| Complexity | 637.04645 |
Chemical Identifiers
| CAS Number | 473607-26-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4F |
Product Overview
2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate (CAS 473607-26-0), with molecular formula C19H22FNO3 and molecular weight 331.16 g/mol. IUPAC: [2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate.
Chemical Property Profile of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate
Property Insights of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate
The XLogP value of 3.5238 indicates that 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate has 1 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-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate?
The CAS number of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate is 473607-26-0.
What is the molecular formula of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate?
The molecular formula of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate is C19H22FNO3.
What is the molecular weight of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate?
The molecular weight of 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate is 331.16 g/mol.
Where can I buy 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate?
You can request a quote for 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.