2-Nitropent-2-en-1-ol
TL;DR: 2-Nitropent-2-en-1-ol (CAS 138668-18-5) is a chemical compound with molecular formula C5H9NO3 and molecular weight 131.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropent-2-en-1-ol
Also Known As: 2-nitropent-2-en-1-ol, (E)-2-Nitro-2-penten-1-ol, 2-Penten-1-ol, 2-nitro-, (E)-, 2-Penten-1-ol,2-nitro-, (E)- (9CI)
| Molecular Formula | C5H9NO3 |
|---|---|
| Molecular Weight | 131.06 g/mol |
| LogP | 0.5493 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.05824 |
| Heavy Atoms | 9 |
| Complexity | 130.1648 |
Chemical Identifiers
| CAS Number | 138668-18-5 |
|---|---|
| SMILES | CCC=C(CO)[N+](=O)[O-] |
Product Overview
2-Nitropent-2-en-1-ol (CAS 138668-18-5), with molecular formula C5H9NO3 and molecular weight 131.06 g/mol. IUPAC: 2-nitropent-2-en-1-ol.
Chemical Property Profile of 2-Nitropent-2-en-1-ol
Property Insights of 2-Nitropent-2-en-1-ol
The XLogP value of 0.5493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitropent-2-en-1-ol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitropent-2-en-1-ol. Following Lipinski's Rule of Five, 2-Nitropent-2-en-1-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-Nitropent-2-en-1-ol?
The CAS number of 2-Nitropent-2-en-1-ol is 138668-18-5.
What is the molecular formula of 2-Nitropent-2-en-1-ol?
The molecular formula of 2-Nitropent-2-en-1-ol is C5H9NO3.
What is the molecular weight of 2-Nitropent-2-en-1-ol?
The molecular weight of 2-Nitropent-2-en-1-ol is 131.06 g/mol.
Where can I buy 2-Nitropent-2-en-1-ol?
You can request a quote for 2-Nitropent-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitropent-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitropent-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.