1-丙磺酸吡啶复合物 (1:1)
TL;DR: 1-丙磺酸吡啶复合物 (1:1) (CAS 68214-76-6) is a chemical compound with molecular formula C8H13NO3S and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-丙磺酸吡啶复合物 (1:1)
propane-1-sulfonic acid;pyridine
Also Known As: Pyridinium propanesulfonate, Pyridine propane-1-sulfonate, Propanesulfonic acid, pyridinium salt, propane-1-sulfonic acid; pyridine, 1-Propanesulfonic acid, compd. with pyridine (1:1)
| Molecular Formula | C8H13NO3S |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.3658 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06161 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 68214-76-6 |
|---|---|
| SMILES | CCCS(=O)(=O)O.C1=CC=NC=C1 |
| InChIKey | XSUMSESCSPMNPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-丙磺酸吡啶复合物 (1:1) (CAS 68214-76-6), with molecular formula C8H13NO3S and molecular weight 203.06 g/mol. IUPAC: propane-1-sulfonic acid;pyridine.
Chemical Property Profile of 1-丙磺酸吡啶复合物 (1:1)
Property Insights of 1-丙磺酸吡啶复合物 (1:1)
The XLogP value of 1.3658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-丙磺酸吡啶复合物 (1:1). The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-丙磺酸吡啶复合物 (1:1). Following Lipinski's Rule of Five, 1-丙磺酸吡啶复合物 (1:1) has 1 hydrogen bond donor(s) and 4 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 1-丙磺酸吡啶复合物 (1:1)?
The CAS number of 1-丙磺酸吡啶复合物 (1:1) is 68214-76-6.
What is the molecular formula of 1-丙磺酸吡啶复合物 (1:1)?
The molecular formula of 1-丙磺酸吡啶复合物 (1:1) is C8H13NO3S.
What is the molecular weight of 1-丙磺酸吡啶复合物 (1:1)?
The molecular weight of 1-丙磺酸吡啶复合物 (1:1) is 203.06 g/mol.
Where can I buy 1-丙磺酸吡啶复合物 (1:1)?
You can request a quote for 1-丙磺酸吡啶复合物 (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-丙磺酸吡啶复合物 (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-丙磺酸吡啶复合物 (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.