3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-
TL;DR: 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- (CAS 173156-98-4) is a chemical compound with molecular formula C21H25NO2S and molecular weight 355.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid
Also Known As: 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-, 6-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)thio)nicotinic acid, 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid, 6-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid, 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthylthio) benzoic acid
| Molecular Formula | C21H25NO2S |
|---|---|
| Molecular Weight | 355.16 g/mol |
| LogP | 5.58842 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.1606 |
| Heavy Atoms | 25 |
| Complexity | 822.53485 |
Chemical Identifiers
| CAS Number | 173156-98-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1SC3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C |
Product Overview
3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- (CAS 173156-98-4), with molecular formula C21H25NO2S and molecular weight 355.16 g/mol. IUPAC: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-
Property Insights of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-
The XLogP value of 5.58842 indicates that 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-?
The CAS number of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- is 173156-98-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-?
The molecular formula of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- is C21H25NO2S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-?
The molecular weight of 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- is 355.16 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-?
You can request a quote for 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.