1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one
TL;DR: 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one (CAS 696597-81-6) is a chemical compound with molecular formula C15H21N5O3 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one
Also Known As: BAS 08837644, 1,3-diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one, A3558/0150919, 1,3-diethyl-5-nitro-6-(piperazin-1-yl)-1,3-dihydro-2H-benzimidazol-2-one, 1,3-diethyl-6-nitro-5-piperazinyl-3-hydrobenzimidazol-2-one
| Molecular Formula | C15H21N5O3 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 1.1606 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.16443 |
| Heavy Atoms | 23 |
| Complexity | 801.52576 |
Chemical Identifiers
| CAS Number | 696597-81-6 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2N(C1=O)CC)[N+](=O)[O-])N3CCNCC3 |
Product Overview
1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one (CAS 696597-81-6), with molecular formula C15H21N5O3 and molecular weight 319.16 g/mol. IUPAC: 1,3-diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one.
Chemical Property Profile of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one
Property Insights of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one
The XLogP value of 1.1606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one. Following Lipinski's Rule of Five, 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one has 1 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 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one?
The CAS number of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one is 696597-81-6.
What is the molecular formula of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one?
The molecular formula of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one is C15H21N5O3.
What is the molecular weight of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one?
The molecular weight of 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one is 319.16 g/mol.
Where can I buy 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one?
You can request a quote for 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-5-nitro-6-piperazin-1-ylbenzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.