(E)-4-Nitro-4-hexen-2-ol
TL;DR: (E)-4-Nitro-4-hexen-2-ol (CAS 138668-10-7) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-nitrohex-4-en-2-ol
Also Known As: (E)-4-Nitro-4-hexen-2-ol, (E)-4-nitrohex-4-en-2-ol, 4-Hexen-2-ol, 4-nitro-, (E)-, (4E)-4-nitrohex-4-en-2-ol
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.9378 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 151.07191 |
Chemical Identifiers
| CAS Number | 138668-10-7 |
|---|---|
| SMILES | C/C=C(\CC(C)O)/[N+](=O)[O-] |
Product Overview
(E)-4-Nitro-4-hexen-2-ol (CAS 138668-10-7), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: (E)-4-nitrohex-4-en-2-ol.
Chemical Property Profile of (E)-4-Nitro-4-hexen-2-ol
Property Insights of (E)-4-Nitro-4-hexen-2-ol
The XLogP value of 0.9378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-Nitro-4-hexen-2-ol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-Nitro-4-hexen-2-ol. Following Lipinski's Rule of Five, (E)-4-Nitro-4-hexen-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 (E)-4-Nitro-4-hexen-2-ol?
The CAS number of (E)-4-Nitro-4-hexen-2-ol is 138668-10-7.
What is the molecular formula of (E)-4-Nitro-4-hexen-2-ol?
The molecular formula of (E)-4-Nitro-4-hexen-2-ol is C6H11NO3.
What is the molecular weight of (E)-4-Nitro-4-hexen-2-ol?
The molecular weight of (E)-4-Nitro-4-hexen-2-ol is 145.07 g/mol.
Where can I buy (E)-4-Nitro-4-hexen-2-ol?
You can request a quote for (E)-4-Nitro-4-hexen-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-Nitro-4-hexen-2-ol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-Nitro-4-hexen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.