CDS1_004841
TL;DR: CDS1_004841 (CAS 326871-69-6) is a chemical compound with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-4-methyl-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one
Also Known As: CDS1_004841, (1E)-4-methyl-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one, (3E)-9-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one, (E)-9-methyl-3-((5-nitrothiophen-2-yl)methylene)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazol-2-one
| Molecular Formula | C15H10N4O3S |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.8498 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.04736 |
| Heavy Atoms | 23 |
| Complexity | 914.95074 |
Chemical Identifiers
| CAS Number | 326871-69-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N\3C1=NC(=O)/C3=C\C4=CC=C(S4)[N+](=O)[O-] |
Product Overview
CDS1_004841 (CAS 326871-69-6), with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol. IUPAC: (1E)-4-methyl-1-[(5-nitrothiophen-2-yl)methylidene]imidazo[1,2-a]benzimidazol-2-one.
Chemical Property Profile of CDS1_004841
Property Insights of CDS1_004841
The XLogP value of 2.8498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_004841. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004841. Following Lipinski's Rule of Five, CDS1_004841 has 0 hydrogen bond donor(s) and 6 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 CDS1_004841?
The CAS number of CDS1_004841 is 326871-69-6.
What is the molecular formula of CDS1_004841?
The molecular formula of CDS1_004841 is C15H10N4O3S.
What is the molecular weight of CDS1_004841?
The molecular weight of CDS1_004841 is 326.05 g/mol.
Where can I buy CDS1_004841?
You can request a quote for CDS1_004841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004841?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.