4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine
TL;DR: 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine (CAS 84386-16-3) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine
Also Known As: (E)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid; piperidine, (E)-4-(3,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid piperidine salt, 2-Butenoic acid, 4-oxo-4-(3,4,5-trimethoxyphenyl)-, (E)-, compd. with piperidine (1:1)
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 2.2958 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 571.0692 |
Chemical Identifiers
| CAS Number | 84386-16-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C=CC(=O)O.C1CCNCC1 |
Product Overview
4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine (CAS 84386-16-3), with molecular formula C18H25NO6 and molecular weight 351.17 g/mol. IUPAC: 4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine.
Chemical Property Profile of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine
Property Insights of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine
The XLogP value of 2.2958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine. Following Lipinski's Rule of Five, 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine has 2 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 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine?
The CAS number of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine is 84386-16-3.
What is the molecular formula of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine?
The molecular formula of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine is C18H25NO6.
What is the molecular weight of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine?
The molecular weight of 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine is 351.17 g/mol.
Where can I buy 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine?
You can request a quote for 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid;piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.