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Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate
TL;DR: Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate (CAS 709006-96-2) is a chemical compound with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate
Also Known As: methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate, VU0508431-1, F3072-0079, methyl 2-{[(adamantanylmethyl)amino]-N-methylcarbonylamino}acetate, methyl {3-[(1-adamantanyl)methyl]-1-methylureido}acetate
| Molecular Formula | C16H26N2O3 |
|---|---|
| Molecular Weight | 294.19 g/mol |
| LogP | 2.0172 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.19434 |
| Heavy Atoms | 21 |
| Complexity | 399.95383 |
Chemical Identifiers
| CAS Number | 709006-96-2 |
|---|---|
| SMILES | CN(CC(=O)OC)C(=O)NCC12CC3CC(C1)CC(C3)C2 |
Product Overview
Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate (CAS 709006-96-2), with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol. IUPAC: methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate.
Chemical Property Profile of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate
Property Insights of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate
The XLogP value of 2.0172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[1-adamantylmethylcarbamoyl(methyl)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 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate?
The CAS number of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate is 709006-96-2.
What is the molecular formula of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate?
The molecular formula of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate is C16H26N2O3.
What is the molecular weight of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate?
The molecular weight of Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate is 294.19 g/mol.
Where can I buy Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate?
You can request a quote for Methyl 2-[1-adamantylmethylcarbamoyl(methyl)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 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[1-adamantylmethylcarbamoyl(methyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.