![2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid structure](/static/products/4888/488804-52-0.webp)
2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid
TL;DR: 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid (CAS 488804-52-0) is a chemical compound with molecular formula C19H19F3N2O2S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: AM-807/37345001, 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid, 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid, 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetic acid, {[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C19H19F3N2O2S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.61658 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.11194 |
| Heavy Atoms | 27 |
| Complexity | 796.18506 |
Chemical Identifiers
| CAS Number | 488804-52-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCC(=O)O |
Product Overview
2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid (CAS 488804-52-0), with molecular formula C19H19F3N2O2S and molecular weight 396.11 g/mol. IUPAC: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid
Property Insights of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid
The XLogP value of 4.61658 indicates that 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 4 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-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid?
The CAS number of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid is 488804-52-0.
What is the molecular formula of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid?
The molecular formula of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid is C19H19F3N2O2S.
What is the molecular weight of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid?
The molecular weight of 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid is 396.11 g/mol.
Where can I buy 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid?
You can request a quote for 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}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-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.