ChemDiv1_028775
TL;DR: ChemDiv1_028775 (CAS 294893-01-9) is a chemical compound with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-4-(2-morpholin-4-ylethyl)-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one
Also Known As: ChemDiv1_028775, (3E)-9-[2-(morpholin-4-yl)ethyl]-3-[(5-nitrothiophen-2-yl)methylidene]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one, (E)-9-(2-morpholinoethyl)-3-((5-nitrothiophen-2-yl)methylene)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one, (1E)-4-(2-morpholin-4-ylethyl)-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 2.5522 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1072.654 |
Chemical Identifiers
| CAS Number | 294893-01-9 |
|---|---|
| SMILES | C1COCCN1CCN2C3=CC=CC=C3N\4C2=NC(=O)/C4=C\C5=CC=C(S5)[N+](=O)[O-] |
Product Overview
ChemDiv1_028775 (CAS 294893-01-9), with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol. IUPAC: (1E)-4-(2-morpholin-4-ylethyl)-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one.
Chemical Property Profile of ChemDiv1_028775
Property Insights of ChemDiv1_028775
The XLogP value of 2.5522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028775. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028775. Following Lipinski's Rule of Five, ChemDiv1_028775 has 0 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 ChemDiv1_028775?
The CAS number of ChemDiv1_028775 is 294893-01-9.
What is the molecular formula of ChemDiv1_028775?
The molecular formula of ChemDiv1_028775 is C20H19N5O4S.
What is the molecular weight of ChemDiv1_028775?
The molecular weight of ChemDiv1_028775 is 425.12 g/mol.
Where can I buy ChemDiv1_028775?
You can request a quote for ChemDiv1_028775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.