RefChem:1056490
TL;DR: RefChem:1056490 (CAS 61014-83-3) is a chemical compound with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate
Also Known As: 4-((2,4,6-Trimethylphenyl)methyl)-1-piperazinecarboxylic acid ethyl ester maleate, 1-Piperazinecarboxylic acid, 4-((2,4,6-trimethylphenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; ethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate, RefChem:1056490
| Molecular Formula | C21H30N2O6 |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 2.59776 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.2104 |
| Heavy Atoms | 29 |
| Complexity | 712.5334 |
Chemical Identifiers
| CAS Number | 61014-83-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=C(C=C(C=C2C)C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056490 (CAS 61014-83-3), with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl 4-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of RefChem:1056490
Property Insights of RefChem:1056490
The XLogP value of 2.59776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056490. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056490. Following Lipinski's Rule of Five, RefChem:1056490 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 RefChem:1056490?
The CAS number of RefChem:1056490 is 61014-83-3.
What is the molecular formula of RefChem:1056490?
The molecular formula of RefChem:1056490 is C21H30N2O6.
What is the molecular weight of RefChem:1056490?
The molecular weight of RefChem:1056490 is 406.21 g/mol.
Where can I buy RefChem:1056490?
You can request a quote for RefChem:1056490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056490?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.