Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-
TL;DR: Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- (CAS 33687-74-0) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-nitro-1-phenylpropan-1-ol
Also Known As: 2-methyl-2-nitro-1-phenylpropan-1-ol, Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-, 2-Methyl-2-nitro-1-phenyl-1-propanol, 1-Phenyl-2-methyl-2-nitro-1-propanol, Benzenemethanol, .alpha.-(1-methyl-1-nitroethyl)-
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 33687-74-0 |
|---|---|
| SMILES | CC(C)(C(C1=CC=CC=C1)O)[N+](=O)[O-] |
| InChIKey | HZYOZOFLFAXDFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- (CAS 33687-74-0), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 2-methyl-2-nitro-1-phenylpropan-1-ol.
Chemical Property Profile of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-
Property Insights of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- has 1 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 Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-?
The CAS number of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- is 33687-74-0.
What is the molecular formula of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-?
The molecular formula of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- is C10H13NO3.
What is the molecular weight of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-?
The molecular weight of Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- is 195.09 g/mol.
Where can I buy Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-?
You can request a quote for Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-(1-methyl-1-nitroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(1-methyl-1-nitroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.