2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate
TL;DR: 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate (CAS 77834-88-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate, 3-(4-methoxyphenyl)-2-nitroprop-2-en-1-yl acetate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 77834-88-9 |
|---|---|
| SMILES | CC(=O)OCC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | MGTRBZFUXSPXRW-UHFFFAOYSA-N |
Product Overview
2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate (CAS 77834-88-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: [3-(4-methoxyphenyl)-2-nitroprop-2-enyl] acetate.
Chemical Property Profile of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate
Property Insights of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate. Following Lipinski's Rule of Five, 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate 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, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate?
The CAS number of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate is 77834-88-9.
What is the molecular formula of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate?
The molecular formula of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate is C12H13NO5.
What is the molecular weight of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate?
The molecular weight of 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate is 251.08 g/mol.
Where can I buy 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate?
You can request a quote for 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate 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, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-ol, 3-(4-methoxyphenyl)-2-nitro-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.