6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid
TL;DR: 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid (CAS 887571-33-7) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butylpyridine-3-sulfonic acid
Also Known As: 6-tert-butylpyridine-3-sulfonic Acid, 6-(tert-Butyl)pyridine-3-sulfonic acid, 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid, RefChem:306430
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.6258 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 414.36545 |
Chemical Identifiers
| CAS Number | 887571-33-7 |
|---|---|
| SMILES | CC(C)(C)C1=NC=C(C=C1)S(=O)(=O)O |
Product Overview
6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid (CAS 887571-33-7), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 6-tert-butylpyridine-3-sulfonic acid.
Chemical Property Profile of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid
Property Insights of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid
The XLogP value of 1.6258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid. Following Lipinski's Rule of Five, 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid has 1 hydrogen bond donor(s) and 3 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 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid?
The CAS number of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid is 887571-33-7.
What is the molecular formula of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid?
The molecular formula of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid is C9H13NO3S.
What is the molecular weight of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid?
The molecular weight of 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid is 215.06 g/mol.
Where can I buy 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid?
You can request a quote for 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,1-Dimethylethyl)-3-pyridinesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.