phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)
TL;DR: phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) (CAS 83010-53-1) is a chemical compound with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol);oxalic acid
Also Known As: 3- phenolethanedioate, 3-(1-Ethyl-1,2,5,6-tetrahydropyridin-3-yl)phenol oxalate, 3-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)phenol ethanedioate (2:1) (salt), Phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt), 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol,oxalic acid
| Molecular Formula | C28H36N2O6 |
|---|---|
| Molecular Weight | 496.26 g/mol |
| LogP | 4.158 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.25732 |
| Heavy Atoms | 36 |
| Complexity | 993.71454 |
Chemical Identifiers
| CAS Number | 83010-53-1 |
|---|---|
| SMILES | CCN1CCC=C(C1)C2=CC(=CC=C2)O.CCN1CCC=C(C1)C2=CC(=CC=C2)O.C(=O)(C(=O)O)O |
Product Overview
phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) (CAS 83010-53-1), with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol. IUPAC: bis(3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol);oxalic acid.
Chemical Property Profile of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)
Property Insights of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)
The XLogP value of 4.158 indicates that phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt). Following Lipinski's Rule of Five, phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) has 4 hydrogen bond donor(s) and 6 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 phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)?
The CAS number of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) is 83010-53-1.
What is the molecular formula of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)?
The molecular formula of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) is C28H36N2O6.
What is the molecular weight of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)?
The molecular weight of phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) is 496.26 g/mol.
Where can I buy phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)?
You can request a quote for phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for phenol, 3-(1-ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.