3-Bromo-5-ethyladamantane-1-carboxylic acid
TL;DR: 3-Bromo-5-ethyladamantane-1-carboxylic acid (CAS 56531-60-3) 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.
3-bromo-5-ethyladamantane-1-carboxylic acid
Also Known As: 3-bromo-5-ethyladamantane-1-carboxylic acid, IDI1_008166, AB01332434-02, 5-BROMO-3-ETHYL-ADAMANTANE-1-CARBOXYLIC ACID, 3-Bromo-5-ethyltricyclo[3.3.1.13,7]decane-1-carboxylic acid
| Molecular Formula | C13H19BrO2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.5851 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05685 |
| Heavy Atoms | 16 |
| Complexity | 355.84177 |
Chemical Identifiers
| CAS Number | 56531-60-3 |
|---|---|
| SMILES | CCC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)O |
Product Overview
3-Bromo-5-ethyladamantane-1-carboxylic acid (CAS 56531-60-3), with molecular formula C13H19BrO2 and molecular weight 286.06 g/mol. IUPAC: 3-bromo-5-ethyladamantane-1-carboxylic acid.
Chemical Property Profile of 3-Bromo-5-ethyladamantane-1-carboxylic acid
Property Insights of 3-Bromo-5-ethyladamantane-1-carboxylic acid
The XLogP value of 3.5851 indicates that 3-Bromo-5-ethyladamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-5-ethyladamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethyladamantane-1-carboxylic acid has 1 hydrogen bond donor(s) and 1 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 3-Bromo-5-ethyladamantane-1-carboxylic acid?
The CAS number of 3-Bromo-5-ethyladamantane-1-carboxylic acid is 56531-60-3.
What is the molecular formula of 3-Bromo-5-ethyladamantane-1-carboxylic acid?
The molecular formula of 3-Bromo-5-ethyladamantane-1-carboxylic acid is C13H19BrO2.
What is the molecular weight of 3-Bromo-5-ethyladamantane-1-carboxylic acid?
The molecular weight of 3-Bromo-5-ethyladamantane-1-carboxylic acid is 286.06 g/mol.
Where can I buy 3-Bromo-5-ethyladamantane-1-carboxylic acid?
You can request a quote for 3-Bromo-5-ethyladamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-ethyladamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethyladamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.