N-丙基苯并咪唑-3-乙胺二草酸盐
TL;DR: N-丙基苯并咪唑-3-乙胺二草酸盐 (CAS 31488-78-5) is a chemical compound with molecular formula C16H21N3O8 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丙基苯并咪唑-3-乙胺二草酸盐
2-(3H-benzimidazol-1-ium-1-yl)ethyl-propylazanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: N-Propyl-benzimidazole-3-ethylamine dioxalate, BENZIMIDAZOLE-3-ETHYLAMINE, N-PROPYL-, DIOXALATE, 2-(3H-benzimidazol-1-ium-1-yl)ethyl-propylazanium; 2-hydroxy-2-oxoacetate, 3-[2-(Propylazaniumyl)ethyl]-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate), RefChem:325992
| Molecular Formula | C16H21N3O8 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -3.93 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.13287 |
| Heavy Atoms | 27 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 31488-78-5 |
|---|---|
| SMILES | CCC[NH2+]CC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | SMSWJTLZMHWOPN-UHFFFAOYSA-N |
Product Overview
N-丙基苯并咪唑-3-乙胺二草酸盐 (CAS 31488-78-5), with molecular formula C16H21N3O8 and molecular weight 383.13 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-propylazanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of N-丙基苯并咪唑-3-乙胺二草酸盐
Property Insights of N-丙基苯并咪唑-3-乙胺二草酸盐
The XLogP value of -3.93 indicates that N-丙基苯并咪唑-3-乙胺二草酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting N-丙基苯并咪唑-3-乙胺二草酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-丙基苯并咪唑-3-乙胺二草酸盐 has 4 hydrogen bond donor(s) and 8 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 N-丙基苯并咪唑-3-乙胺二草酸盐?
The CAS number of N-丙基苯并咪唑-3-乙胺二草酸盐 is 31488-78-5.
What is the molecular formula of N-丙基苯并咪唑-3-乙胺二草酸盐?
The molecular formula of N-丙基苯并咪唑-3-乙胺二草酸盐 is C16H21N3O8.
What is the molecular weight of N-丙基苯并咪唑-3-乙胺二草酸盐?
The molecular weight of N-丙基苯并咪唑-3-乙胺二草酸盐 is 383.13 g/mol.
Where can I buy N-丙基苯并咪唑-3-乙胺二草酸盐?
You can request a quote for N-丙基苯并咪唑-3-乙胺二草酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丙基苯并咪唑-3-乙胺二草酸盐?
Yes, KEHONG BIO provides custom synthesis services for N-丙基苯并咪唑-3-乙胺二草酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.