A3960/0168773
TL;DR: A3960/0168773 (CAS 889977-89-3) is a chemical compound with molecular formula C26H19N5O5 and molecular weight 481.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)imidazol-4-one
Also Known As: A3960/0168773, (5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)imidazol-4-one, (5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)-3,5-dihydro-4H-imidazol-4-one, 1-[2-(1H-1,3-BENZIMIDAZOL-2-YL)ETHYL]-4-[(Z)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-(3-NITROPHENYL)-1H-IMIDAZOL-5-ONE
| Molecular Formula | C26H19N5O5 |
|---|---|
| Molecular Weight | 481.14 g/mol |
| LogP | 4.0724 |
| Topological Polar Surface Area | 122.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.1386 |
| Heavy Atoms | 36 |
| Complexity | 1555.6552 |
Chemical Identifiers
| CAS Number | 889977-89-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=N3)C4=CC(=CC=C4)[N+](=O)[O-])CCC5=NC6=CC=CC=C6N5 |
Product Overview
A3960/0168773 (CAS 889977-89-3), with molecular formula C26H19N5O5 and molecular weight 481.14 g/mol. IUPAC: (5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-(3-nitrophenyl)imidazol-4-one.
Chemical Property Profile of A3960/0168773
Property Insights of A3960/0168773
The XLogP value of 4.0724 indicates that A3960/0168773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3960/0168773. Following Lipinski's Rule of Five, A3960/0168773 has 1 hydrogen bond donor(s) and 7 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 A3960/0168773?
The CAS number of A3960/0168773 is 889977-89-3.
What is the molecular formula of A3960/0168773?
The molecular formula of A3960/0168773 is C26H19N5O5.
What is the molecular weight of A3960/0168773?
The molecular weight of A3960/0168773 is 481.14 g/mol.
Where can I buy A3960/0168773?
You can request a quote for A3960/0168773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3960/0168773?
Yes, KEHONG BIO provides custom synthesis services for A3960/0168773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.