3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
TL;DR: 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt (CAS 14933-13-2) 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.
3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonate
Also Known As: 3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonate, 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt, 3-(3-methylpyridinium-1-yl)propane-1-sulfonate, 3-Methyl-1-(3-sulfonatopropyl)pyridinium, 3-METHYL-1-(3-SULFONATOPROPYL)PYRIDIN-1-IUM
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 14933-13-2 |
|---|---|
| SMILES | CC1=C[N+](=CC=C1)CCCS(=O)(=O)[O-] |
| InChIKey | KQYJTLHBMMEKIY-UHFFFAOYSA-N |
Product Overview
3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt (CAS 14933-13-2), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
Property Insights of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt. Following Lipinski's Rule of Five, 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt has 0 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 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt?
The CAS number of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt is 14933-13-2.
What is the molecular formula of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt?
The molecular formula of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt is C9H13NO3S.
What is the molecular weight of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt?
The molecular weight of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt is 215.06 g/mol.
Where can I buy 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt?
You can request a quote for 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.