(E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
TL;DR: (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one (CAS 324779-66-0) is a chemical compound with molecular formula C19H13N3O3S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Also Known As: BIM-0030032.P001, (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one, (2E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylthiobenzimidazolyl)prop-2-en-1-one, (2E)-3-(3-nitrophenyl)-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one, (E)-3-(3-nitrophenyl)-1-(2-(prop-2-yn-1-ylthio)-1H-benzo[d]imidazol-1-yl)prop-2-en-1-one
| Molecular Formula | C19H13N3O3S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 4.0234 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.06775 |
| Heavy Atoms | 26 |
| Complexity | 1063.3218 |
Chemical Identifiers
| CAS Number | 324779-66-0 |
|---|---|
| SMILES | C#CCSC1=NC2=CC=CC=C2N1C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one (CAS 324779-66-0), with molecular formula C19H13N3O3S and molecular weight 363.07 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
Property Insights of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
The XLogP value of 4.0234 indicates that (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 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 (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one?
The CAS number of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one is 324779-66-0.
What is the molecular formula of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one?
The molecular formula of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one is C19H13N3O3S.
What is the molecular weight of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one?
The molecular weight of (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one is 363.07 g/mol.
Where can I buy (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one?
You can request a quote for (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-nitrophenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.