![[2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate structure](/static/products/4000/400057-59-2.webp)
[2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
TL;DR: [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate (CAS 400057-59-2) is a chemical compound with molecular formula C22H29NO6 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
Also Known As: [2-(1-adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate, 2-[(Adamantan-1-yl)amino]-2-oxoethyl 2,4,5-trimethoxybenzoate
| Molecular Formula | C22H29NO6 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 2.9542 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1995 |
| Heavy Atoms | 29 |
| Complexity | 769.4532 |
Chemical Identifiers
| CAS Number | 400057-59-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC)OC |
Product Overview
[2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate (CAS 400057-59-2), with molecular formula C22H29NO6 and molecular weight 403.20 g/mol. IUPAC: [2-(1-adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate.
Chemical Property Profile of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
Property Insights of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
The XLogP value of 2.9542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate has 1 hydrogen bond donor(s) and 6 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-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The CAS number of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate is 400057-59-2.
What is the molecular formula of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The molecular formula of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate is C22H29NO6.
What is the molecular weight of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The molecular weight of [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate is 403.20 g/mol.
Where can I buy [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
You can request a quote for [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1-Adamantylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.