![5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one structure](/static/products/899/899374-45-9.png)
5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 899374-45-9) is a chemical compound with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-dimethyl-6-nitrobenzimidazol-2-one
Also Known As: 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one, 5-chloro-1,3-dimethyl-6-nitrobenzimidazol-2-one, 5-chloro-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one, 5-chloro-1,3-dimethyl-6-nitro-3-hydrobenzimidazol-2-one, 5-chloro-1,3-dimethyl-6-nitro-benzimidazol-2-one
| Molecular Formula | C9H8ClN3O3 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 1.4386 |
| Topological Polar Surface Area | 70.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.02542 |
| Heavy Atoms | 16 |
| Complexity | 656.04346 |
Chemical Identifiers
| CAS Number | 899374-45-9 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2N(C1=O)C)Cl)[N+](=O)[O-] |
Product Overview
5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 899374-45-9), with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol. IUPAC: 5-chloro-1,3-dimethyl-6-nitrobenzimidazol-2-one.
Chemical Property Profile of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 1.4386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one. The TPSA of 70.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one. Following Lipinski's Rule of Five, 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one has 0 hydrogen bond donor(s) and 3 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 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one is 899374-45-9.
What is the molecular formula of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one is C9H8ClN3O3.
What is the molecular weight of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one is 241.03 g/mol.
Where can I buy 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-dimethyl-6-nitro-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.