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Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-
TL;DR: Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- (CAS 40663-31-8) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethoxy-5-(2-nitroethenyl)benzene
Also Known As: 1,2,3-trimethoxy-5-(2-nitroethenyl)benzene, 1,2,3-trimethoxy-5-(2-nitrovinyl)benzene, Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-, BETA-NITRO-3,4,5-TRIMETHOXYSTYRENE, (E)-1,2,3-trimethoxy-5-(2-nitrovinyl)benzene
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 40663-31-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C[N+](=O)[O-] |
| InChIKey | PEPYBEJQAIGLRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- (CAS 40663-31-8), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 1,2,3-trimethoxy-5-(2-nitroethenyl)benzene.
Chemical Property Profile of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-
Property Insights of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-. Following Lipinski's Rule of Five, Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- 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 Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-?
The CAS number of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- is 40663-31-8.
What is the molecular formula of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-?
The molecular formula of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- is C11H13NO5.
What is the molecular weight of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-?
The molecular weight of Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- is 239.08 g/mol.
Where can I buy Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-?
You can request a quote for Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.