2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile (CAS 488804-72-4) is a chemical compound with molecular formula C18H9ClN4O3S and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile, 2-(1H-benzo[d]imidazol-2-yl)-3-(3-chloro-6-nitrobenzo[b]thiophen-2-yl)-3-oxopropanenitrile
| Molecular Formula | C18H9ClN4O3S |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 4.82928 |
| Topological Polar Surface Area | 112.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0084 |
| Heavy Atoms | 27 |
| Complexity | 1237.8239 |
Chemical Identifiers
| CAS Number | 488804-72-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile (CAS 488804-72-4), with molecular formula C18H9ClN4O3S and molecular weight 396.01 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
The XLogP value of 4.82928 indicates that 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile has 1 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 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile is 488804-72-4.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile is C18H9ClN4O3S.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile is 396.01 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.