(4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
TL;DR: (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one (CAS 72797-15-0) is a chemical compound with molecular formula C16H27NO4 and molecular weight 297.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
Also Known As: 2-Hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one, 2-Cyclopenten-1-one, 2-hydroxy-3-nitro-4-undecyl-, (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
| Molecular Formula | C16H27NO4 |
|---|---|
| Molecular Weight | 297.19 g/mol |
| LogP | 4.5426 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 297.194 |
| Heavy Atoms | 21 |
| Complexity | 389.73822 |
Chemical Identifiers
| CAS Number | 72797-15-0 |
|---|---|
| SMILES | CCCCCCCCCCC[C@H]1CC(=O)C(=C1[N+](=O)[O-])O |
Product Overview
(4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one (CAS 72797-15-0), with molecular formula C16H27NO4 and molecular weight 297.19 g/mol. IUPAC: (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one.
Chemical Property Profile of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
Property Insights of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one
The XLogP value of 4.5426 indicates that (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one. Following Lipinski's Rule of Five, (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one has 1 hydrogen bond donor(s) and 4 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 (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one?
The CAS number of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one is 72797-15-0.
What is the molecular formula of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one?
The molecular formula of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one is C16H27NO4.
What is the molecular weight of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one?
The molecular weight of (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one is 297.19 g/mol.
Where can I buy (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one?
You can request a quote for (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (4S)-2-hydroxy-3-nitro-4-undecylcyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.