2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)
TL;DR: 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) (CAS 114448-88-3) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] acetate
Also Known As: [(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] Acetate|3-[2-(benzyloxy)phenyl]-2-nitroprop-2-en-1-yl acetate|Acetic acid 2-nitro-3-[2-(benzyloxy)phenyl]-2-propenyl ester|2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.4463 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 740.08417 |
Chemical Identifiers
| CAS Number | 114448-88-3 |
|---|---|
| SMILES | CC(=O)OC/C(=C/C1=CC=CC=C1OCC2=CC=CC=C2)/[N+](=O)[O-] |
Product Overview
2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) (CAS 114448-88-3), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: [(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] acetate.
Chemical Property Profile of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)
Property Insights of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)
The XLogP value of 3.4463 indicates that 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester). Following Lipinski's Rule of Five, 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) has 0 hydrogen bond donor(s) and 5 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-(2-(phenylmethoxy)phenyl)-, acetate (ester)?
The CAS number of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) is 114448-88-3.
What is the molecular formula of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)?
The molecular formula of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) is C18H17NO5.
What is the molecular weight of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)?
The molecular weight of 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) is 327.11 g/mol.
Where can I buy 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester)?
You can request a quote for 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, 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-(2-(phenylmethoxy)phenyl)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-ol, 2-nitro-3-(2-(phenylmethoxy)phenyl)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.