4-(Chloromethyl)-2-nitroanisole
TL;DR: 4-(Chloromethyl)-2-nitroanisole (CAS 6378-19-4) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-1-methoxy-2-nitrobenzene
Also Known As: 4-(chloromethyl)-1-methoxy-2-nitrobenzene, 4-(Chloromethyl)-2-nitroanisole, 4-methoxy-3-nitrobenzyl chloride, 4-Chlormethyl-2-nitro-anisol, 4-methoxy-3-nitrobenzylchloride
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6378-19-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCl)[N+](=O)[O-] |
| InChIKey | DKRYRFRNGLTDMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Chloromethyl)-2-nitroanisole (CAS 6378-19-4), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: 4-(chloromethyl)-1-methoxy-2-nitrobenzene.
Chemical Property Profile of 4-(Chloromethyl)-2-nitroanisole
Property Insights of 4-(Chloromethyl)-2-nitroanisole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(Chloromethyl)-2-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-nitroanisole 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 4-(Chloromethyl)-2-nitroanisole?
The CAS number of 4-(Chloromethyl)-2-nitroanisole is 6378-19-4.
What is the molecular formula of 4-(Chloromethyl)-2-nitroanisole?
The molecular formula of 4-(Chloromethyl)-2-nitroanisole is C8H8ClNO3.
What is the molecular weight of 4-(Chloromethyl)-2-nitroanisole?
The molecular weight of 4-(Chloromethyl)-2-nitroanisole is 201.02 g/mol.
Where can I buy 4-(Chloromethyl)-2-nitroanisole?
You can request a quote for 4-(Chloromethyl)-2-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.