2-(3-Sulfanyl-1-adamantyl)acetic acid
TL;DR: 2-(3-Sulfanyl-1-adamantyl)acetic acid (CAS 322409-30-3) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-sulfanyl-1-adamantyl)acetic acid
Also Known As: (3-sulfanyl-1-adamantyl)acetic acid, 2-(3-sulfanyl-1-adamantyl)acetic acid, BAS 00717246, (3-Mercapto-adamantan-1-yl)-acetic acid, 2-(3-mercaptoadamantan-1-yl)acetic acid
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.7299 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 298.744 |
Chemical Identifiers
| CAS Number | 322409-30-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)S)CC(=O)O |
Product Overview
2-(3-Sulfanyl-1-adamantyl)acetic acid (CAS 322409-30-3), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: 2-(3-sulfanyl-1-adamantyl)acetic acid.
Chemical Property Profile of 2-(3-Sulfanyl-1-adamantyl)acetic acid
Property Insights of 2-(3-Sulfanyl-1-adamantyl)acetic acid
The XLogP value of 2.7299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Sulfanyl-1-adamantyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(3-Sulfanyl-1-adamantyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Sulfanyl-1-adamantyl)acetic 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 2-(3-Sulfanyl-1-adamantyl)acetic acid?
The CAS number of 2-(3-Sulfanyl-1-adamantyl)acetic acid is 322409-30-3.
What is the molecular formula of 2-(3-Sulfanyl-1-adamantyl)acetic acid?
The molecular formula of 2-(3-Sulfanyl-1-adamantyl)acetic acid is C12H18O2S.
What is the molecular weight of 2-(3-Sulfanyl-1-adamantyl)acetic acid?
The molecular weight of 2-(3-Sulfanyl-1-adamantyl)acetic acid is 226.10 g/mol.
Where can I buy 2-(3-Sulfanyl-1-adamantyl)acetic acid?
You can request a quote for 2-(3-Sulfanyl-1-adamantyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Sulfanyl-1-adamantyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Sulfanyl-1-adamantyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.