3-Sulfanyladamantane-1-carboxylic acid
TL;DR: 3-Sulfanyladamantane-1-carboxylic acid (CAS 247225-76-9) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanyladamantane-1-carboxylic acid
Also Known As: 3-sulfanyladamantane-1-carboxylic acid, 3-sulfanyladamantanecarboxylic acid, BAS 00717240, 3-MERCAPTO-1-ADAMANTANECARBOXYLIC ACID, 3-Mercaptoadamantane-1-carboxylic acid
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.3398 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 285.66266 |
Chemical Identifiers
| CAS Number | 247225-76-9 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)S)C(=O)O |
Product Overview
3-Sulfanyladamantane-1-carboxylic acid (CAS 247225-76-9), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: 3-sulfanyladamantane-1-carboxylic acid.
Chemical Property Profile of 3-Sulfanyladamantane-1-carboxylic acid
Property Insights of 3-Sulfanyladamantane-1-carboxylic acid
The XLogP value of 2.3398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Sulfanyladamantane-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Sulfanyladamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sulfanyladamantane-1-carboxylic 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 3-Sulfanyladamantane-1-carboxylic acid?
The CAS number of 3-Sulfanyladamantane-1-carboxylic acid is 247225-76-9.
What is the molecular formula of 3-Sulfanyladamantane-1-carboxylic acid?
The molecular formula of 3-Sulfanyladamantane-1-carboxylic acid is C11H16O2S.
What is the molecular weight of 3-Sulfanyladamantane-1-carboxylic acid?
The molecular weight of 3-Sulfanyladamantane-1-carboxylic acid is 212.09 g/mol.
Where can I buy 3-Sulfanyladamantane-1-carboxylic acid?
You can request a quote for 3-Sulfanyladamantane-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-Sulfanyladamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfanyladamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.