![Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate structure](/static/products/495/495402-96-5.png)
Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate
TL;DR: Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate (CAS 495402-96-5) is a chemical compound with molecular formula C26H36N2O4 and molecular weight 440.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
Also Known As: AO-081/15384090, 2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate, 2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate, isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate, isobutyl 2-((4-((3r,5r,7r)-adamantan-1-yl)phenyl)carbamoyl)-4-hydroxypyrrolidine-1-carboxylate
| Molecular Formula | C26H36N2O4 |
|---|---|
| Molecular Weight | 440.27 g/mol |
| LogP | 4.3207 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.26752 |
| Heavy Atoms | 32 |
| Complexity | 829.7986 |
Chemical Identifiers
| CAS Number | 495402-96-5 |
|---|---|
| SMILES | CC(C)COC(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O |
Product Overview
Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate (CAS 495402-96-5), with molecular formula C26H36N2O4 and molecular weight 440.27 g/mol. IUPAC: 2-methylpropyl 2-[[4-(1-adamantyl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
Chemical Property Profile of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate
Property Insights of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate
The XLogP value of 4.3207 indicates that Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate has 2 hydrogen bond donor(s) and 4 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 Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate?
The CAS number of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate is 495402-96-5.
What is the molecular formula of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate?
The molecular formula of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate is C26H36N2O4.
What is the molecular weight of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate?
The molecular weight of Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate is 440.27 g/mol.
Where can I buy Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate?
You can request a quote for Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-{[4-(1-adamantyl)anilino]carbonyl}-4-hydroxy-1-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.