3-Nitro-2-pentanol
TL;DR: 3-Nitro-2-pentanol (CAS 5447-99-4) 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-nitropentan-2-ol
Also Known As: 3-Nitro-2-pentanol, 3-Nitropentan-2-ol, 3n2pent, 2-Pentanol, 3-nitro-, 3-nitro-pentan-2-ol
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 5447-99-4 |
|---|---|
| SMILES | CCC(C(C)O)[N+](=O)[O-] |
| InChIKey | CHOTTWGZEKCPHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-2-pentanol (CAS 5447-99-4), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 3-nitropentan-2-ol.
Chemical Property Profile of 3-Nitro-2-pentanol
Property Insights of 3-Nitro-2-pentanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-2-pentanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-2-pentanol. Following Lipinski's Rule of Five, 3-Nitro-2-pentanol 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-Nitro-2-pentanol?
The CAS number of 3-Nitro-2-pentanol is 5447-99-4.
What is the molecular formula of 3-Nitro-2-pentanol?
The molecular formula of 3-Nitro-2-pentanol is C5H11NO3.
What is the molecular weight of 3-Nitro-2-pentanol?
The molecular weight of 3-Nitro-2-pentanol is 133.07 g/mol.
Where can I buy 3-Nitro-2-pentanol?
You can request a quote for 3-Nitro-2-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-2-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.