but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
TL;DR: but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine (CAS 99838-20-7) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
Also Known As: 1,2,5-TRIMETHYL-4-PHENYL-5,6-DIHYDRO-2H-PYRIDINE MALEATE, 1,3,6-trimethyl-4-phenyl-1,2,3,6- tetrahydropyridine (2E)-but-2-enedioate
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.7518 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 99838-20-7 |
|---|---|
| SMILES | CC1CN(C(C=C1C2=CC=CC=C2)C)C.C(=CC(=O)O)C(=O)O |
| InChIKey | LTGNOJYZNDHVPD-UHFFFAOYSA-N |
Product Overview
but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine (CAS 99838-20-7), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine.
Chemical Property Profile of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
Property Insights of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
The XLogP value of 2.7518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine. Following Lipinski's Rule of Five, but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine has 2 hydrogen bond donor(s) and 5 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 but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine?
The CAS number of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine is 99838-20-7.
What is the molecular formula of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine?
The molecular formula of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine is C18H23NO4.
What is the molecular weight of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine?
The molecular weight of but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine is 317.16 g/mol.
Where can I buy but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine?
You can request a quote for but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.