1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
TL;DR: 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid (CAS 91631-49-1) is a chemical compound with molecular formula C22H23NO2 and molecular weight 333.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
Also Known As: Skf-100330A, SK&F 100330-A, N-(4,4-Diphenyl-3-butenyl)guvacine, N-[4,4-diphenyl-3-butenyl]-guvacine, SID:134223047
| Molecular Formula | C22H23NO2 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.17288 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 91631-49-1 |
|---|---|
| SMILES | C1CN(CC(=C1)C(=O)O)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | NNHFTYXKYCVPFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid (CAS 91631-49-1), with molecular formula C22H23NO2 and molecular weight 333.17 g/mol. IUPAC: 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid.
Chemical Property Profile of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
Property Insights of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid has 1 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-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid?
The CAS number of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid is 91631-49-1.
What is the molecular formula of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid?
The molecular formula of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid is C22H23NO2.
What is the molecular weight of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid?
The molecular weight of 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid is 333.17 g/mol.
Where can I buy 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid?
You can request a quote for 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.