3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-
TL;DR: 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- (CAS 99902-98-4) is a chemical compound with molecular formula C11H7Cl2NO4S and molecular weight 318.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid
Also Known As: 2-Thiophen-2-yl-benzaldehyde, 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-, 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid, 6-(3,4-DICHLOROPHENOXY)-3-PYRIDINESULFONIC ACID
| Molecular Formula | C11H7Cl2NO4S |
|---|---|
| Molecular Weight | 318.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9473 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 99902-98-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=NC=C(C=C2)S(=O)(=O)O)Cl)Cl |
| InChIKey | LZMFWYIRBNUPOE-UHFFFAOYSA-N |
Product Overview
3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- (CAS 99902-98-4), with molecular formula C11H7Cl2NO4S and molecular weight 318.95 g/mol. IUPAC: 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid.
Chemical Property Profile of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-
Property Insights of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-. Following Lipinski's Rule of Five, 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- 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 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-?
The CAS number of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- is 99902-98-4.
What is the molecular formula of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-?
The molecular formula of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- is C11H7Cl2NO4S.
What is the molecular weight of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-?
The molecular weight of 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- is 318.95 g/mol.
Where can I buy 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-?
You can request a quote for 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinesulfonic acid, 6-(3,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.