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Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate
TL;DR: Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate (CAS 1009012-05-8) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)-2-[(3-methylbenzoyl)amino]acetate
Also Known As: methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate, methyl 2-(1-adamantyl)-2-[(3-methylbenzoyl)amino]acetate
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 3.48282 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 660.8523 |
Chemical Identifiers
| CAS Number | 1009012-05-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C(=O)OC)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate (CAS 1009012-05-8), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: methyl 2-(1-adamantyl)-2-[(3-methylbenzoyl)amino]acetate.
Chemical Property Profile of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate
Property Insights of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate
The XLogP value of 3.48282 indicates that Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]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 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]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 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate?
The CAS number of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate is 1009012-05-8.
What is the molecular formula of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate?
The molecular formula of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate is C21H27NO3.
What is the molecular weight of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate?
The molecular weight of Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate is 341.20 g/mol.
Where can I buy Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate?
You can request a quote for Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-adamantanyl-2-[(3-methylphenyl)carbonylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.