3-Ethyladamantanecarboxylic acid
TL;DR: 3-Ethyladamantanecarboxylic acid (CAS 37845-05-9) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,7S)-3-ethyladamantane-1-carboxylic acid
Also Known As: 3-Ethyladamantanecarboxylic acid, 3-ethyladamantane-1-carboxylic acid, 3-ETHYLADAMANTANE-1-CARBOXYLICACID, (5R,7S)-3-ethyladamantane-1-carboxylic acid, (1r,3s,5R,7S)-3-ethyladamantane-1-carboxylic acid
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 37845-05-9 |
|---|---|
| SMILES | CCC12C[C@H]3C[C@@H](C1)CC(C3)(C2)C(=O)O |
| InChIKey | ZJBLNYRNJSFPQO-ASZHBFLOSA-N |
Product Overview
3-Ethyladamantanecarboxylic acid (CAS 37845-05-9), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (5R,7S)-3-ethyladamantane-1-carboxylic acid.
Chemical Property Profile of 3-Ethyladamantanecarboxylic acid
Property Insights of 3-Ethyladamantanecarboxylic acid
The XLogP value of 3.3 indicates that 3-Ethyladamantanecarboxylic 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-Ethyladamantanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyladamantanecarboxylic acid has 1 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 3-Ethyladamantanecarboxylic acid?
The CAS number of 3-Ethyladamantanecarboxylic acid is 37845-05-9.
What is the molecular formula of 3-Ethyladamantanecarboxylic acid?
The molecular formula of 3-Ethyladamantanecarboxylic acid is C13H20O2.
What is the molecular weight of 3-Ethyladamantanecarboxylic acid?
The molecular weight of 3-Ethyladamantanecarboxylic acid is 208.15 g/mol.
Where can I buy 3-Ethyladamantanecarboxylic acid?
You can request a quote for 3-Ethyladamantanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyladamantanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyladamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.