Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)
TL;DR: Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) (CAS 99700-13-7) is a chemical compound with molecular formula C46H62N6O20 and molecular weight 1018.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentakis((E)-but-2-enedioic acid);bis(1-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydrobenzimidazole)
Also Known As: C13H21N3.5/2C4H4O4, Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5), C13-H21-N3.5/2C4-H4-O4, 4,5,6,7-Tetrahydro-1-ethyl-5-(1-pyrrolidinyl)benzimidazole fumarate (2:5), 1H-Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, (E)-2-butenedioate (2:5)
| Molecular Formula | C46H62N6O20 |
|---|---|
| Molecular Weight | 1018.40 g/mol |
| LogP | 2.2712 |
| Topological Polar Surface Area | 415.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 1018.4019 |
| Heavy Atoms | 72 |
| Complexity | 1929.9225 |
Chemical Identifiers
| CAS Number | 99700-13-7 |
|---|---|
| SMILES | CCN1C2=C(N=C1)CC(CC2)N3CCCC3.CCN1C2=C(N=C1)CC(CC2)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) (CAS 99700-13-7), with molecular formula C46H62N6O20 and molecular weight 1018.40 g/mol. IUPAC: pentakis((E)-but-2-enedioic acid);bis(1-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydrobenzimidazole).
Chemical Property Profile of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)
Property Insights of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)
The XLogP value of 2.2712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5). The TPSA of 415.12 Ų indicates high polarity, suggesting Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)?
The CAS number of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) is 99700-13-7.
What is the molecular formula of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)?
The molecular formula of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) is C46H62N6O20.
What is the molecular weight of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)?
The molecular weight of Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) is 1018.40 g/mol.
Where can I buy Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)?
You can request a quote for Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.