3-Methyl-3-nitrobutan-2-ol
TL;DR: 3-Methyl-3-nitrobutan-2-ol (CAS 2354-92-9) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-nitrobutan-2-ol
Also Known As: 3-methyl-3-nitrobutan-2-ol, 3-methyl-3-nitro-2-butanol, 2-Butanol, 3-methyl-3-nitro-, 3-Nitro-3-methyl-2-butanol, 3-nitro-3-methylbutane-2-ol
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 2354-92-9 |
|---|---|
| SMILES | CC(C(C)(C)[N+](=O)[O-])O |
| InChIKey | MVFMATZFWFEEKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-3-nitrobutan-2-ol (CAS 2354-92-9), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 3-methyl-3-nitrobutan-2-ol.
Chemical Property Profile of 3-Methyl-3-nitrobutan-2-ol
Property Insights of 3-Methyl-3-nitrobutan-2-ol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-nitrobutan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-3-nitrobutan-2-ol. Following Lipinski's Rule of Five, 3-Methyl-3-nitrobutan-2-ol 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 3-Methyl-3-nitrobutan-2-ol?
The CAS number of 3-Methyl-3-nitrobutan-2-ol is 2354-92-9.
What is the molecular formula of 3-Methyl-3-nitrobutan-2-ol?
The molecular formula of 3-Methyl-3-nitrobutan-2-ol is C5H11NO3.
What is the molecular weight of 3-Methyl-3-nitrobutan-2-ol?
The molecular weight of 3-Methyl-3-nitrobutan-2-ol is 133.07 g/mol.
Where can I buy 3-Methyl-3-nitrobutan-2-ol?
You can request a quote for 3-Methyl-3-nitrobutan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-nitrobutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-nitrobutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.