1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
TL;DR: 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol (CAS 2735-71-9) is a chemical compound with molecular formula C10H11N3O3 and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
Also Known As: 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol, methylnitrobenzodiazolylethanol, 1-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)-ethan-1-ol, 1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol, BAS 00990102
| Molecular Formula | C10H11N3O3 |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 1.5348 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08005 |
| Heavy Atoms | 16 |
| Complexity | 559.67975 |
Chemical Identifiers
| CAS Number | 2735-71-9 |
|---|---|
| SMILES | CC(C1=NC2=C(N1C)C=CC(=C2)[N+](=O)[O-])O |
Product Overview
1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol (CAS 2735-71-9), with molecular formula C10H11N3O3 and molecular weight 221.08 g/mol. IUPAC: 1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol.
Chemical Property Profile of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
Property Insights of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
The XLogP value of 1.5348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol. Following Lipinski's Rule of Five, 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol has 1 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 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol?
The CAS number of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol is 2735-71-9.
What is the molecular formula of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol?
The molecular formula of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol is C10H11N3O3.
What is the molecular weight of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol?
The molecular weight of 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol is 221.08 g/mol.
Where can I buy 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol?
You can request a quote for 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.