2-Methyl-1-nitro-2-propanol
TL;DR: 2-Methyl-1-nitro-2-propanol (CAS 5447-98-3) is a chemical compound with molecular formula C4H9NO3 and molecular weight 119.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitropropan-2-ol
Also Known As: 2-Methyl-1-nitro-2-propanol, 2-methyl-1-nitropropan-2-ol, 2-Propanol, 2-methyl-1-nitro-, 2-Nitro-tertiary butanol, 2-Methyl-l-nitropropan-2-ol
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.05824 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 5447-98-3 |
|---|---|
| SMILES | CC(C)(C[N+](=O)[O-])O |
| InChIKey | FOOMQHQMUGNBKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-nitro-2-propanol (CAS 5447-98-3), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: 2-methyl-1-nitropropan-2-ol.
Chemical Property Profile of 2-Methyl-1-nitro-2-propanol
Property Insights of 2-Methyl-1-nitro-2-propanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-nitro-2-propanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1-nitro-2-propanol. Following Lipinski's Rule of Five, 2-Methyl-1-nitro-2-propanol 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 2-Methyl-1-nitro-2-propanol?
The CAS number of 2-Methyl-1-nitro-2-propanol is 5447-98-3.
What is the molecular formula of 2-Methyl-1-nitro-2-propanol?
The molecular formula of 2-Methyl-1-nitro-2-propanol is C4H9NO3.
What is the molecular weight of 2-Methyl-1-nitro-2-propanol?
The molecular weight of 2-Methyl-1-nitro-2-propanol is 119.06 g/mol.
Where can I buy 2-Methyl-1-nitro-2-propanol?
You can request a quote for 2-Methyl-1-nitro-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-nitro-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-nitro-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.