2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate
TL;DR: 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate (CAS 389617-87-2) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
Also Known As: 2-oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate, AN-698/42111085, [2-(4-methylanilino)-2-oxoethyl] adamantane-1-carboxylate, 2-[(4-methylphenyl)amino]-2-oxoethyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.69312 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 614.06854 |
Chemical Identifiers
| CAS Number | 389617-87-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate (CAS 389617-87-2), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: [2-(4-methylanilino)-2-oxoethyl] adamantane-1-carboxylate.
Chemical Property Profile of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate
Property Insights of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate
The XLogP value of 3.69312 indicates that 2-Oxo-2-(4-toluidino)ethyl 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-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(4-toluidino)ethyl 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-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate?
The CAS number of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate is 389617-87-2.
What is the molecular formula of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate?
The molecular formula of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate is C20H25NO3.
What is the molecular weight of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate?
The molecular weight of 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate is 327.18 g/mol.
Where can I buy 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate?
You can request a quote for 2-Oxo-2-(4-toluidino)ethyl 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-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(4-toluidino)ethyl 1-adamantanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.