1-Ethyl-3,5-adamantanedicarboxylic acid
TL;DR: 1-Ethyl-3,5-adamantanedicarboxylic acid (CAS 313241-29-1) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyladamantane-1,3-dicarboxylic acid
Also Known As: 1-ethyl-3,5-adamantanedicarboxylic acid, 5-ethyladamantane-1,3-dicarboxylic Acid, 5-ethyl-1,3-adamantanedicarboxylic, 5-ethyladamantane-1,3-dicarboxylicacid, RefChem:230276
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 2.5224 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 397.50992 |
Chemical Identifiers
| CAS Number | 313241-29-1 |
|---|---|
| SMILES | CCC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O |
Product Overview
1-Ethyl-3,5-adamantanedicarboxylic acid (CAS 313241-29-1), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: 5-ethyladamantane-1,3-dicarboxylic acid.
Chemical Property Profile of 1-Ethyl-3,5-adamantanedicarboxylic acid
Property Insights of 1-Ethyl-3,5-adamantanedicarboxylic acid
The XLogP value of 2.5224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3,5-adamantanedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3,5-adamantanedicarboxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-3,5-adamantanedicarboxylic acid has 2 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 1-Ethyl-3,5-adamantanedicarboxylic acid?
The CAS number of 1-Ethyl-3,5-adamantanedicarboxylic acid is 313241-29-1.
What is the molecular formula of 1-Ethyl-3,5-adamantanedicarboxylic acid?
The molecular formula of 1-Ethyl-3,5-adamantanedicarboxylic acid is C14H20O4.
What is the molecular weight of 1-Ethyl-3,5-adamantanedicarboxylic acid?
The molecular weight of 1-Ethyl-3,5-adamantanedicarboxylic acid is 252.14 g/mol.
Where can I buy 1-Ethyl-3,5-adamantanedicarboxylic acid?
You can request a quote for 1-Ethyl-3,5-adamantanedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3,5-adamantanedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3,5-adamantanedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.