1-Nitrobutan-2-ol
TL;DR: 1-Nitrobutan-2-ol (CAS 3156-74-9) 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.
1-nitrobutan-2-ol
Also Known As: 1-nitrobutan-2-ol, 2-Butanol, 1-nitro-, 1-NITRO-2-BUTANOL, 1-Nitrobutanol-2, 1-nitro-butan-2-ol
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.05824 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 3156-74-9 |
|---|---|
| SMILES | CCC(C[N+](=O)[O-])O |
| InChIKey | FMEFHKJRIGHSLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitrobutan-2-ol (CAS 3156-74-9), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: 1-nitrobutan-2-ol.
Chemical Property Profile of 1-Nitrobutan-2-ol
Property Insights of 1-Nitrobutan-2-ol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitrobutan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrobutan-2-ol. Following Lipinski's Rule of Five, 1-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 1-Nitrobutan-2-ol?
The CAS number of 1-Nitrobutan-2-ol is 3156-74-9.
What is the molecular formula of 1-Nitrobutan-2-ol?
The molecular formula of 1-Nitrobutan-2-ol is C4H9NO3.
What is the molecular weight of 1-Nitrobutan-2-ol?
The molecular weight of 1-Nitrobutan-2-ol is 119.06 g/mol.
Where can I buy 1-Nitrobutan-2-ol?
You can request a quote for 1-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 1-Nitrobutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrobutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.