3-(1-吡啶鎓)-1-丙磺酸盐
TL;DR: 3-(1-吡啶鎓)-1-丙磺酸盐 (CAS 15471-17-7) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-吡啶鎓)-1-丙磺酸盐
3-pyridin-1-ium-1-ylpropane-1-sulfonate
Also Known As: 3-(Pyridin-1-ium-1-yl)propane-1-sulfonate, 3-(1-Pyridinio)-1-propanesulfonate, 1-Pyridiniumpropane-3-sulfonate, NDBS cpd, 1-(3-Sulphonatopropyl)pyridinium
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 15471-17-7 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-] |
| InChIKey | REEBJQTUIJTGAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-吡啶鎓)-1-丙磺酸盐 (CAS 15471-17-7), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 3-pyridin-1-ium-1-ylpropane-1-sulfonate.
Chemical Property Profile of 3-(1-吡啶鎓)-1-丙磺酸盐
Property Insights of 3-(1-吡啶鎓)-1-丙磺酸盐
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-吡啶鎓)-1-丙磺酸盐. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-吡啶鎓)-1-丙磺酸盐. Following Lipinski's Rule of Five, 3-(1-吡啶鎓)-1-丙磺酸盐 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-(1-吡啶鎓)-1-丙磺酸盐?
The CAS number of 3-(1-吡啶鎓)-1-丙磺酸盐 is 15471-17-7.
What is the molecular formula of 3-(1-吡啶鎓)-1-丙磺酸盐?
The molecular formula of 3-(1-吡啶鎓)-1-丙磺酸盐 is C8H11NO3S.
What is the molecular weight of 3-(1-吡啶鎓)-1-丙磺酸盐?
The molecular weight of 3-(1-吡啶鎓)-1-丙磺酸盐 is 201.05 g/mol.
Where can I buy 3-(1-吡啶鎓)-1-丙磺酸盐?
You can request a quote for 3-(1-吡啶鎓)-1-丙磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-吡啶鎓)-1-丙磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-吡啶鎓)-1-丙磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.