RefChem:1057814
TL;DR: RefChem:1057814 (CAS 96233-53-3) is a chemical compound with molecular formula C18H28N3O4+ and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioate;cyclopentyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium
Also Known As: C14H23N3.3/2C4H4O4, 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-cyclopentyl-1-ethyl-, (E)-2-butenedioate (2:3), C14-H23-N3.3/2C4-H4-O4, 4,5,6,7-Tetrahydro-5-(cyclopentylamino)-1-ethylbenzimidazole fumarate (2:3), Benzimidazole, 4,5,6,7-tetrahydro-5-(cyclopentylamino)-1-ethyl-, fumarate (2:3)
| Molecular Formula | C18H28N3O4+ |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | -4.6738 |
| Topological Polar Surface Area | 115.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.20798 |
| Heavy Atoms | 25 |
| Complexity | 560.87024 |
Chemical Identifiers
| CAS Number | 96233-53-3 |
|---|---|
| SMILES | CC[NH+]1C=[NH+]C2=C1CCC(C2)[NH2+]C3CCCC3.C(=C/C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1057814 (CAS 96233-53-3), with molecular formula C18H28N3O4+ and molecular weight 350.21 g/mol. IUPAC: (E)-but-2-enedioate;cyclopentyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium.
Chemical Property Profile of RefChem:1057814
Property Insights of RefChem:1057814
The XLogP value of -4.6738 indicates that RefChem:1057814 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057814. Following Lipinski's Rule of Five, RefChem:1057814 has 3 hydrogen bond donor(s) and 4 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:1057814?
The CAS number of RefChem:1057814 is 96233-53-3.
What is the molecular formula of RefChem:1057814?
The molecular formula of RefChem:1057814 is C18H28N3O4+.
What is the molecular weight of RefChem:1057814?
The molecular weight of RefChem:1057814 is 350.21 g/mol.
Where can I buy RefChem:1057814?
You can request a quote for RefChem:1057814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.