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2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
TL;DR: 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene (CAS 5580-89-2) is a chemical compound with molecular formula C14H11Cl2NO2 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
Also Known As: KST-1B5579, 1,4-dichloro-2-(2-methyl-5-nitrobenzyl)benzene, BAS 00498744, BIM-0023190.P001, 2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
| Molecular Formula | C14H11Cl2NO2 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 4.80082 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0167 |
| Heavy Atoms | 19 |
| Complexity | 641.33826 |
Chemical Identifiers
| CAS Number | 5580-89-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(C=CC(=C2)Cl)Cl |
Product Overview
2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene (CAS 5580-89-2), with molecular formula C14H11Cl2NO2 and molecular weight 295.02 g/mol. IUPAC: 2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitrobenzene.
Chemical Property Profile of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
Property Insights of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
The XLogP value of 4.80082 indicates that 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene has 0 hydrogen bond donor(s) and 2 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-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene?
The CAS number of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene is 5580-89-2.
What is the molecular formula of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene?
The molecular formula of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene is C14H11Cl2NO2.
What is the molecular weight of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene?
The molecular weight of 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene is 295.02 g/mol.
Where can I buy 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene?
You can request a quote for 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dichlorophenyl)methyl]-1-methyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.