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Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- structure
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Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-

TL;DR: Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- (CAS 85078-27-9) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-methoxy-4-[1-(4-methoxyphenyl)-2-nitroethyl]benzene

Also Known As: KST-1B9182, 1,1'-(2-nitroethane-1,1-diyl)bis(4-methoxybenzene), Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-, 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitroethyl]benzene, J1.589.308G

CAS Number
85078-27-9
Molecular Formula
C16H17NO4
Molecular Weight
287.11575 g/mol
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Technical Specifications

Molecular FormulaC16H17NO4
Molecular Weight287.11575 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)64.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass287.11575 Da
Heavy Atoms21
Complexity291.0
SMILESCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OC
InChIKeyQDIWFABZGBNPAO-UHFFFAOYSA-N

Chemical Property Profile of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-

XLogP
3.6
TPSA (Topological Polar Surface Area)
64.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
21
Complexity
291.0
Exact Mass
287.11575
Monoisotopic Mass
287.11575
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-

The XLogP value of 3.6 indicates that Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-. Following Lipinski's Rule of Five, Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-?

The CAS number of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- is 85078-27-9.

What is the molecular formula of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-?

The molecular formula of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- is C16H17NO4.

What is the molecular weight of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-?

The molecular weight of Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- is 287.11575 g/mol.

Where can I buy Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-?

You can request a quote for Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-?

Yes, CoreyChem provides custom synthesis services for Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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