![2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid structure](/static/products/852/852696-41-4.png)
2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid
TL;DR: 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid (CAS 852696-41-4) is a chemical compound with molecular formula C14H10ClNO4S and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid
Also Known As: AB00682920-01, 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}PYRIDINE-3-CARBOXYLIC ACID, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid, 2-[(6-chloro-2H-benzo[d]1,3-dioxolen-5-yl)methylthio]pyridine-3-carboxylic aci d, 2-[(6-chlorobenzo[1,3]dioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic Acid
| Molecular Formula | C14H10ClNO4S |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | 3.4542 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0019 |
| Heavy Atoms | 21 |
| Complexity | 707.3685 |
Chemical Identifiers
| CAS Number | 852696-41-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=CC=N3)C(=O)O)Cl |
Product Overview
2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid (CAS 852696-41-4), with molecular formula C14H10ClNO4S and molecular weight 323.00 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid
Property Insights of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid
The XLogP value of 3.4542 indicates that 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic 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-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The CAS number of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid is 852696-41-4.
What is the molecular formula of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The molecular formula of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid is C14H10ClNO4S.
What is the molecular weight of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The molecular weight of 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid is 323.00 g/mol.
Where can I buy 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid?
You can request a quote for 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic 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-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.