methyl (2S)-2-(1-adamantyl)-2-amino-acetate
TL;DR: methyl (2S)-2-(1-adamantyl)-2-amino-acetate (CAS 95853-33-1) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(1-adamantyl)-2-aminoacetate
Also Known As: Methyl 2-(1-adamantyl)-2-amino-acetate, methyl (2S)-2-(1-adamantyl)-2-aminoacetate, methyl (2S)-2-(1-adamantyl)-2-amino-acetate
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 1.7031 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 277.77023 |
Chemical Identifiers
| CAS Number | 95853-33-1 |
|---|---|
| SMILES | COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)N |
Product Overview
methyl (2S)-2-(1-adamantyl)-2-amino-acetate (CAS 95853-33-1), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: methyl (2S)-2-(1-adamantyl)-2-aminoacetate.
Chemical Property Profile of methyl (2S)-2-(1-adamantyl)-2-amino-acetate
Property Insights of methyl (2S)-2-(1-adamantyl)-2-amino-acetate
The XLogP value of 1.7031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-(1-adamantyl)-2-amino-acetate. With a topological polar surface area (TPSA) of 52.32 Ų, methyl (2S)-2-(1-adamantyl)-2-amino-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-(1-adamantyl)-2-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 (2S)-2-(1-adamantyl)-2-amino-acetate?
The CAS number of methyl (2S)-2-(1-adamantyl)-2-amino-acetate is 95853-33-1.
What is the molecular formula of methyl (2S)-2-(1-adamantyl)-2-amino-acetate?
The molecular formula of methyl (2S)-2-(1-adamantyl)-2-amino-acetate is C13H21NO2.
What is the molecular weight of methyl (2S)-2-(1-adamantyl)-2-amino-acetate?
The molecular weight of methyl (2S)-2-(1-adamantyl)-2-amino-acetate is 223.16 g/mol.
Where can I buy methyl (2S)-2-(1-adamantyl)-2-amino-acetate?
You can request a quote for methyl (2S)-2-(1-adamantyl)-2-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 (2S)-2-(1-adamantyl)-2-amino-acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-(1-adamantyl)-2-amino-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.