1,2,3,6-四氢吡啶-4-磺酸
TL;DR: 1,2,3,6-四氢吡啶-4-磺酸 (CAS 95596-29-5) is a chemical compound with molecular formula C1CNCC=C1S(=O)(=O)O and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,6-四氢吡啶-4-磺酸
1,2,3,6-tetrahydropyridine-4-sulfonic acid
Also Known As: 1,2,3,6-Tetrahydropyridine-4-sulfonic acid, PDSP1_001746, PDSP2_001729, 1,2,3,6-tetrahydropyridine-4-sulfonicacid, 4-Pyridinesulfonicacid, 1,2,3,6-tetrahydro-
| Molecular Formula | C1CNCC=C1S(=O)(=O)O |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.03032 |
| Heavy Atoms | 10 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 95596-29-5 |
|---|---|
| SMILES | C1CNCC=C1S(=O)(=O)O |
| InChIKey | XDDXODLBTXLHOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-四氢吡啶-4-磺酸 (CAS 95596-29-5), with molecular formula C1CNCC=C1S(=O)(=O)O and molecular weight 163.03 g/mol. IUPAC: 1,2,3,6-tetrahydropyridine-4-sulfonic acid.
Chemical Property Profile of 1,2,3,6-四氢吡啶-4-磺酸
Property Insights of 1,2,3,6-四氢吡啶-4-磺酸
The XLogP value of -3.3 indicates that 1,2,3,6-四氢吡啶-4-磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-四氢吡啶-4-磺酸. Following Lipinski's Rule of Five, 1,2,3,6-四氢吡啶-4-磺酸 has 2 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 1,2,3,6-四氢吡啶-4-磺酸?
The CAS number of 1,2,3,6-四氢吡啶-4-磺酸 is 95596-29-5.
What is the molecular formula of 1,2,3,6-四氢吡啶-4-磺酸?
The molecular formula of 1,2,3,6-四氢吡啶-4-磺酸 is C1CNCC=C1S(=O)(=O)O.
What is the molecular weight of 1,2,3,6-四氢吡啶-4-磺酸?
The molecular weight of 1,2,3,6-四氢吡啶-4-磺酸 is 163.03 g/mol.
Where can I buy 1,2,3,6-四氢吡啶-4-磺酸?
You can request a quote for 1,2,3,6-四氢吡啶-4-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-四氢吡啶-4-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-四氢吡啶-4-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.