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Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate
TL;DR: Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate (CAS 1009592-80-6) is a chemical compound with molecular formula C20H24FNO3 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetate
Also Known As: methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate, AF-399/42110713, methyl 2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetate
| Molecular Formula | C20H24FNO3 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 3.3135 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.174 |
| Heavy Atoms | 25 |
| Complexity | 666.6524 |
Chemical Identifiers
| CAS Number | 1009592-80-6 |
|---|---|
| SMILES | COC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F |
Product Overview
Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate (CAS 1009592-80-6), with molecular formula C20H24FNO3 and molecular weight 345.17 g/mol. IUPAC: methyl 2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetate.
Chemical Property Profile of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate
Property Insights of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate
The XLogP value of 3.3135 indicates that Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate 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 Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate?
The CAS number of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate is 1009592-80-6.
What is the molecular formula of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate?
The molecular formula of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate is C20H24FNO3.
What is the molecular weight of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate?
The molecular weight of Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate is 345.17 g/mol.
Where can I buy Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate?
You can request a quote for Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-adamantyl[(2-fluorobenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.