2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene
TL;DR: 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene (CAS 443899-76-1) is a chemical compound with molecular formula C13H9ClFNO3 and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
Also Known As: 2-Chloro-1-((3-fluorobenzyl)oxy)-4-nitrobenzene, 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene, 2-CHLORO-1-(3-FLUOROBENZYLOXY)-4-NITROBENZENE, Lapatinib Impurity 13, Lapatinib Impurity 28
| Molecular Formula | C13H9ClFNO3 |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 3.9663 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0255 |
| Heavy Atoms | 19 |
| Complexity | 618.58734 |
Chemical Identifiers
| CAS Number | 443899-76-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene (CAS 443899-76-1), with molecular formula C13H9ClFNO3 and molecular weight 281.03 g/mol. IUPAC: 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene.
Chemical Property Profile of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene
Property Insights of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene
The XLogP value of 3.9663 indicates that 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene has 0 hydrogen bond donor(s) and 3 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-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene?
The CAS number of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene is 443899-76-1.
What is the molecular formula of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene?
The molecular formula of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene is C13H9ClFNO3.
What is the molecular weight of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene?
The molecular weight of 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene is 281.03 g/mol.
Where can I buy 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene?
You can request a quote for 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.