Methyl 1-adamantyl(bromo)acetate
TL;DR: Methyl 1-adamantyl(bromo)acetate (CAS 97041-95-7) is a chemical compound with molecular formula C13H19BrO2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)-2-bromoacetate
Also Known As: METHYL 1-ADAMANTYL(BROMO)ACETATE, methyl 2-(1-adamantyl)-2-bromoacetate, METHYL 2-(ADAMANTAN-1-YL)-2-BROMOACETATE, F0020-1742, methyl 2-((3r,5r,7r)-adamantan-1-yl)-2-bromoacetate
| Molecular Formula | C13H19BrO2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.1393 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05685 |
| Heavy Atoms | 16 |
| Complexity | 277.77023 |
Chemical Identifiers
| CAS Number | 97041-95-7 |
|---|---|
| SMILES | COC(=O)C(C12CC3CC(C1)CC(C3)C2)Br |
Product Overview
Methyl 1-adamantyl(bromo)acetate (CAS 97041-95-7), with molecular formula C13H19BrO2 and molecular weight 286.06 g/mol. IUPAC: methyl 2-(1-adamantyl)-2-bromoacetate.
Chemical Property Profile of Methyl 1-adamantyl(bromo)acetate
Property Insights of Methyl 1-adamantyl(bromo)acetate
The XLogP value of 3.1393 indicates that Methyl 1-adamantyl(bromo)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 1-adamantyl(bromo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-adamantyl(bromo)acetate has 0 hydrogen bond donor(s) and 2 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(bromo)acetate?
The CAS number of Methyl 1-adamantyl(bromo)acetate is 97041-95-7.
What is the molecular formula of Methyl 1-adamantyl(bromo)acetate?
The molecular formula of Methyl 1-adamantyl(bromo)acetate is C13H19BrO2.
What is the molecular weight of Methyl 1-adamantyl(bromo)acetate?
The molecular weight of Methyl 1-adamantyl(bromo)acetate is 286.06 g/mol.
Where can I buy Methyl 1-adamantyl(bromo)acetate?
You can request a quote for Methyl 1-adamantyl(bromo)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(bromo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-adamantyl(bromo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.