RefChem:1057998
TL;DR: RefChem:1057998 (CAS 134221-19-5) is a chemical compound with molecular formula C25H28N6O6 and molecular weight 508.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]-1-(3-nitro-4-pentoxyphenyl)ethanimine
Also Known As: 1H-Imidazole-2-carboxaldehyde, 1-((4-methoxy-3-nitrophenyl)methyl)-, (1-(3-nitro-4-(pentyloxy)phenyl)ethylidene)hydrazone, (E)-N-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]-1-(3-nitro-4-pentoxyphenyl)ethanimine, 1H-Imidazole-2-carboxaldehyde,1-[(4-methoxy-3-nitrophenyl)methyl]-, 2-[1-[3-nitro-4-(pentyloxy)phenyl]ethylidene]hydrazone, 1H-Imidazole-2-carboxaldehyde,1-[(4-methoxy-3-nitrophenyl)methyl]-,2-[1-[3-nitro-4-(pentyloxy)phenyl]ethylidene]hydrazone, RefChem:1057998
| Molecular Formula | C25H28N6O6 |
|---|---|
| Molecular Weight | 508.21 g/mol |
| LogP | 5.1685 |
| Topological Polar Surface Area | 147.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 508.20703 |
| Heavy Atoms | 37 |
| Complexity | 1316.751 |
Chemical Identifiers
| CAS Number | 134221-19-5 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)/C(=N\N=C\C2=NC=CN2CC3=CC(=C(C=C3)OC)[N+](=O)[O-])/C)[N+](=O)[O-] |
Product Overview
RefChem:1057998 (CAS 134221-19-5), with molecular formula C25H28N6O6 and molecular weight 508.21 g/mol. IUPAC: (E)-N-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]-1-(3-nitro-4-pentoxyphenyl)ethanimine.
Chemical Property Profile of RefChem:1057998
Property Insights of RefChem:1057998
The XLogP value of 5.1685 indicates that RefChem:1057998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.28 Ų indicates high polarity, suggesting RefChem:1057998 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057998 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057998?
The CAS number of RefChem:1057998 is 134221-19-5.
What is the molecular formula of RefChem:1057998?
The molecular formula of RefChem:1057998 is C25H28N6O6.
What is the molecular weight of RefChem:1057998?
The molecular weight of RefChem:1057998 is 508.21 g/mol.
Where can I buy RefChem:1057998?
You can request a quote for RefChem:1057998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.