3-Nitro-2-butanol
TL;DR: 3-Nitro-2-butanol (CAS 6270-16-2) 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.
3-nitrobutan-2-ol
Also Known As: 3-Nitro-2-butanol, 3-Nitrobutan-2-ol, 2-Butanol, 3-nitro-, 2-Nitrobutan-3-ol, 3-nitro-butan-2-ol
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.2 |
| 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 | 87.0 |
Chemical Identifiers
| CAS Number | 6270-16-2 |
|---|---|
| SMILES | CC(C(C)O)[N+](=O)[O-] |
| InChIKey | OJVOGABFNZDOOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-2-butanol (CAS 6270-16-2), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: 3-nitrobutan-2-ol.
Chemical Property Profile of 3-Nitro-2-butanol
Property Insights of 3-Nitro-2-butanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-2-butanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-2-butanol. Following Lipinski's Rule of Five, 3-Nitro-2-butanol 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-butanol?
The CAS number of 3-Nitro-2-butanol is 6270-16-2.
What is the molecular formula of 3-Nitro-2-butanol?
The molecular formula of 3-Nitro-2-butanol is C4H9NO3.
What is the molecular weight of 3-Nitro-2-butanol?
The molecular weight of 3-Nitro-2-butanol is 119.06 g/mol.
Where can I buy 3-Nitro-2-butanol?
You can request a quote for 3-Nitro-2-butanol 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-butanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.