1,3-Dimethyladamantan-5-carboxylic acid
TL;DR: 1,3-Dimethyladamantan-5-carboxylic acid (CAS 14670-94-1) 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.
(3R,5S)-3,5-dimethyladamantane-1-carboxylic acid
Also Known As: Maybridge1_002240, 3,5-Dimethyladamantane-1-carboxylic acid, 1,3-DIMETHYLADAMANTAN-5-CARBOXYLIC ACID, 3,5-Dimethyladamantane-1-carboxylic acid, 97%, (3R,5S)-3,5-dimethyladamantane-1-carboxylic acid
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 14670-94-1 |
|---|---|
| SMILES | C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)O)C |
| InChIKey | BSWOQWGHXZTDOO-QGVZIFMBSA-N |
Product Overview
1,3-Dimethyladamantan-5-carboxylic acid (CAS 14670-94-1), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (3R,5S)-3,5-dimethyladamantane-1-carboxylic acid.
Chemical Property Profile of 1,3-Dimethyladamantan-5-carboxylic acid
Property Insights of 1,3-Dimethyladamantan-5-carboxylic acid
The XLogP value of 3.2 indicates that 1,3-Dimethyladamantan-5-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, 1,3-Dimethyladamantan-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyladamantan-5-carboxylic 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 1,3-Dimethyladamantan-5-carboxylic acid?
The CAS number of 1,3-Dimethyladamantan-5-carboxylic acid is 14670-94-1.
What is the molecular formula of 1,3-Dimethyladamantan-5-carboxylic acid?
The molecular formula of 1,3-Dimethyladamantan-5-carboxylic acid is C13H20O2.
What is the molecular weight of 1,3-Dimethyladamantan-5-carboxylic acid?
The molecular weight of 1,3-Dimethyladamantan-5-carboxylic acid is 208.15 g/mol.
Where can I buy 1,3-Dimethyladamantan-5-carboxylic acid?
You can request a quote for 1,3-Dimethyladamantan-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyladamantan-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyladamantan-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.