1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine
TL;DR: 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine (CAS 87142-65-2) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine
Also Known As: 1-(phenylsulfonyl)-1,2,3,6-tetrahydropyridine, KST-1B8975, 1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine, 1-benzenesulfonyl-1,2,3,6-tetrahydropyridine, 1-(Benzenesulfonyl)-1,2,3,6-tetrahydropyridine
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 87142-65-2 |
|---|---|
| SMILES | C1CN(CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | OAMPJJYMCHPNNB-UHFFFAOYSA-N |
Product Overview
1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine (CAS 87142-65-2), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: 1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine
Property Insights of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine 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 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine?
The CAS number of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine is 87142-65-2.
What is the molecular formula of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine?
The molecular formula of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine is C11H13NO2S.
What is the molecular weight of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine?
The molecular weight of 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine is 223.07 g/mol.
Where can I buy 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine?
You can request a quote for 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.