but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
TL;DR: but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate (CAS 84806-83-7) is a chemical compound with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
Also Known As: ETHYL 4-(1H-BENZOIMIDAZOL-4-YL)PIPERAZINE-1-CARBOXYLATE MALEATE, Ethyl 4-(1H-benzimidazol-4-yl)-1-piperazinecarboxylate (Z)-2-butenedioate (1:1), 1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, (Z)-2-butenedioate (1:1)
| Molecular Formula | C18H22N4O6 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 1.5532 |
| Topological Polar Surface Area | 136.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.15393 |
| Heavy Atoms | 28 |
| Complexity | 838.6328 |
Chemical Identifiers
| CAS Number | 84806-83-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=CC=CC3=C2N=CN3.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate (CAS 84806-83-7), with molecular formula C18H22N4O6 and molecular weight 390.15 g/mol. IUPAC: but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate.
Chemical Property Profile of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
Property Insights of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate
The XLogP value of 1.5532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate. The TPSA of 136.06 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate has 3 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 but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate?
The CAS number of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate is 84806-83-7.
What is the molecular formula of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate?
The molecular formula of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate is C18H22N4O6.
What is the molecular weight of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate?
The molecular weight of but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate is 390.15 g/mol.
Where can I buy but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate?
You can request a quote for but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate 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;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;ethyl 4-(1H-benzimidazol-4-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.