2-Methyl-2-nitropentan-3-ol
TL;DR: 2-Methyl-2-nitropentan-3-ol (CAS 20570-67-6) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-nitropentan-3-ol
Also Known As: 2-methyl-2-nitropentan-3-ol, 3-Pentanol, 2-methyl-2-nitro-, 2-nitro-2-methyl-3-pentanol, 2-methyl-2-nitro-pentan-3-ol, 3-Pentanol,2-methyl-2-nitro-
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 20570-67-6 |
|---|---|
| SMILES | CCC(C(C)(C)[N+](=O)[O-])O |
| InChIKey | XGIVOZBEDLLCCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-nitropentan-3-ol (CAS 20570-67-6), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: 2-methyl-2-nitropentan-3-ol.
Chemical Property Profile of 2-Methyl-2-nitropentan-3-ol
Property Insights of 2-Methyl-2-nitropentan-3-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-nitropentan-3-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-nitropentan-3-ol. Following Lipinski's Rule of Five, 2-Methyl-2-nitropentan-3-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 2-Methyl-2-nitropentan-3-ol?
The CAS number of 2-Methyl-2-nitropentan-3-ol is 20570-67-6.
What is the molecular formula of 2-Methyl-2-nitropentan-3-ol?
The molecular formula of 2-Methyl-2-nitropentan-3-ol is C6H13NO3.
What is the molecular weight of 2-Methyl-2-nitropentan-3-ol?
The molecular weight of 2-Methyl-2-nitropentan-3-ol is 147.09 g/mol.
Where can I buy 2-Methyl-2-nitropentan-3-ol?
You can request a quote for 2-Methyl-2-nitropentan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-nitropentan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-nitropentan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.