2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)
TL;DR: 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) (CAS 77834-79-8) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] acetate
Also Known As: 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester), [(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] acetate
| Molecular Formula | C11H10N2O6 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.7755 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0539 |
| Heavy Atoms | 19 |
| Complexity | 534.62134 |
Chemical Identifiers
| CAS Number | 77834-79-8 |
|---|---|
| SMILES | CC(=O)OC/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/[N+](=O)[O-] |
Product Overview
2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) (CAS 77834-79-8), with molecular formula C11H10N2O6 and molecular weight 266.05 g/mol. IUPAC: [(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] acetate.
Chemical Property Profile of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)
Property Insights of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)
The XLogP value of 1.7755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester). The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester). Following Lipinski's Rule of Five, 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) has 0 hydrogen bond donor(s) and 6 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-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)?
The CAS number of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) is 77834-79-8.
What is the molecular formula of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)?
The molecular formula of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) is C11H10N2O6.
What is the molecular weight of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)?
The molecular weight of 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) is 266.05 g/mol.
Where can I buy 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)?
You can request a quote for 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-ol, 2-nitro-3-(4-nitrophenyl)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.