1-(2,3,4-Trimethoxyphenyl)-2-nitropropene
TL;DR: 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene (CAS 5556-77-4) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethoxy-4-(2-nitroprop-1-enyl)benzene
Also Known As: 1-(2,3,4-TRIMETHOXYPHENYL)-2-NITROPROPENE, 2-Carbaethoxy-3-hydroxy-benzothiophen, 1,2,3-trimethoxy-4-(2-nitroprop-1-enyl)benzene, 1-(2,3,4-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%, 1,2,3-TRIMETHOXY-4-(2-NITROPROP-1-EN-1-YL)BENZENE
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 5556-77-4 |
|---|---|
| SMILES | CC(=CC1=C(C(=C(C=C1)OC)OC)OC)[N+](=O)[O-] |
| InChIKey | OWNHUMYJCSEOTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3,4-Trimethoxyphenyl)-2-nitropropene (CAS 5556-77-4), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 1,2,3-trimethoxy-4-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene
Property Insights of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene. Following Lipinski's Rule of Five, 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene 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 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene?
The CAS number of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene is 5556-77-4.
What is the molecular formula of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene?
The molecular formula of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene is C12H15NO5.
What is the molecular weight of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene?
The molecular weight of 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene is 253.10 g/mol.
Where can I buy 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene?
You can request a quote for 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4-Trimethoxyphenyl)-2-nitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.