RefChem:1057835
TL;DR: RefChem:1057835 (CAS 99714-89-3) is a chemical compound with molecular formula C48H68N8O20 and molecular weight 1076.45 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-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole)
Also Known As: C14H24N4.5/2C4H4O4, C14-H24-N4.5/2C4-H4-O4, 1H-Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:5), (E)-but-2-enedioic acid; 1-ethyl-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole, RefChem:1057835
| Molecular Formula | C48H68N8O20 |
|---|---|
| Molecular Weight | 1076.45 g/mol |
| LogP | 0.5744 |
| Topological Polar Surface Area | 421.6 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 1076.455 |
| Heavy Atoms | 76 |
| Complexity | 2033.2472 |
Chemical Identifiers
| CAS Number | 99714-89-3 |
|---|---|
| SMILES | CCN1C2=C(N=C1)CC(CC2)N3CCN(CC3)C.CCN1C2=C(N=C1)CC(CC2)N3CCN(CC3)C.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
RefChem:1057835 (CAS 99714-89-3), with molecular formula C48H68N8O20 and molecular weight 1076.45 g/mol. IUPAC: pentakis((E)-but-2-enedioic acid);bis(1-ethyl-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole).
Chemical Property Profile of RefChem:1057835
Property Insights of RefChem:1057835
The XLogP value of 0.5744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057835. The TPSA of 421.6 Ų indicates high polarity, suggesting RefChem:1057835 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057835 has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057835?
The CAS number of RefChem:1057835 is 99714-89-3.
What is the molecular formula of RefChem:1057835?
The molecular formula of RefChem:1057835 is C48H68N8O20.
What is the molecular weight of RefChem:1057835?
The molecular weight of RefChem:1057835 is 1076.45 g/mol.
Where can I buy RefChem:1057835?
You can request a quote for RefChem:1057835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.