![2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid structure](/static/products/4520/452088-31-2.webp)
2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid
TL;DR: 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid (CAS 452088-31-2) is a chemical compound with molecular formula C15H13NO4S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
Also Known As: 2-[(5-formyl-2-methoxybenzyl)thio]nicotinic acid, ChemDiv1_017544, 2-((5-Formyl-2-methoxybenzyl)thio)nicotinic acid, 2-(5-Formyl-2-methoxybenzylthio)nicotinic acid, 2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
| Molecular Formula | C15H13NO4S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 2.8932 |
| Topological Polar Surface Area | 76.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.05652 |
| Heavy Atoms | 21 |
| Complexity | 672.4732 |
Chemical Identifiers
| CAS Number | 452088-31-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid (CAS 452088-31-2), with molecular formula C15H13NO4S and molecular weight 303.06 g/mol. IUPAC: 2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid
Property Insights of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid
The XLogP value of 2.8932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid. The TPSA of 76.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid. Following Lipinski's Rule of Five, 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid has 1 hydrogen bond donor(s) and 5 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-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid?
The CAS number of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid is 452088-31-2.
What is the molecular formula of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid?
The molecular formula of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid is C15H13NO4S.
What is the molecular weight of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid?
The molecular weight of 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid is 303.06 g/mol.
Where can I buy 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid?
You can request a quote for 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.