1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene
TL;DR: 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene (CAS 78904-45-7) 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.
1,3,5-trimethoxy-2-(2-nitroprop-1-enyl)benzene
Also Known As: 1,3,5-trimethoxy-2-(2-nitroprop-1-enyl)benzene, BAS 00395220, 1-(2,4,6-TRIMETHOXYPHENYL)-2-NITROPROPENE, 1,3,5-trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene, RefChem:217455
| 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 | 298.0 |
Chemical Identifiers
| CAS Number | 78904-45-7 |
|---|---|
| SMILES | CC(=CC1=C(C=C(C=C1OC)OC)OC)[N+](=O)[O-] |
| InChIKey | JAPSFFLFSUERST-UHFFFAOYSA-N |
Product Overview
1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene (CAS 78904-45-7), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 1,3,5-trimethoxy-2-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene
Property Insights of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene. Following Lipinski's Rule of Five, 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene 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 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene?
The CAS number of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene is 78904-45-7.
What is the molecular formula of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene?
The molecular formula of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene is C12H15NO5.
What is the molecular weight of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene?
The molecular weight of 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene is 253.10 g/mol.
Where can I buy 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene?
You can request a quote for 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethoxy-2-(2-nitroprop-1-en-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.