(4-nitro-1H-benzimidazol-2-yl)methanol
TL;DR: (4-nitro-1H-benzimidazol-2-yl)methanol (CAS 170648-89-2) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitro-1H-benzimidazol-2-yl)methanol
Also Known As: (4-nitro-1H-benzimidazol-2-yl)methanol, 1H-Benzimidazole-2-methanol,4-nitro-(9CI), (4-Nitrobenzimidazol-2-yl)methanol, {4-nitro-1H-benzimidazol-2-yl}methanol, (4-nitro-1H-benzoimidazol-2-yl)methanol
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 170648-89-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)CO |
| InChIKey | FCRAUSOGYAEHGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-nitro-1H-benzimidazol-2-yl)methanol (CAS 170648-89-2), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: (4-nitro-1H-benzimidazol-2-yl)methanol.
Chemical Property Profile of (4-nitro-1H-benzimidazol-2-yl)methanol
Property Insights of (4-nitro-1H-benzimidazol-2-yl)methanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-nitro-1H-benzimidazol-2-yl)methanol. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitro-1H-benzimidazol-2-yl)methanol. Following Lipinski's Rule of Five, (4-nitro-1H-benzimidazol-2-yl)methanol has 2 hydrogen bond donor(s) and 4 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 (4-nitro-1H-benzimidazol-2-yl)methanol?
The CAS number of (4-nitro-1H-benzimidazol-2-yl)methanol is 170648-89-2.
What is the molecular formula of (4-nitro-1H-benzimidazol-2-yl)methanol?
The molecular formula of (4-nitro-1H-benzimidazol-2-yl)methanol is C8H7N3O3.
What is the molecular weight of (4-nitro-1H-benzimidazol-2-yl)methanol?
The molecular weight of (4-nitro-1H-benzimidazol-2-yl)methanol is 193.05 g/mol.
Where can I buy (4-nitro-1H-benzimidazol-2-yl)methanol?
You can request a quote for (4-nitro-1H-benzimidazol-2-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitro-1H-benzimidazol-2-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4-nitro-1H-benzimidazol-2-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.