1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene
TL;DR: 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene (CAS 62224-03-7) is a chemical compound with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(chloromethyl)-2-methyl-5-nitrobenzene
Also Known As: 1,3-bis(chloromethyl)-2-methyl-5-nitrobenzene, BENZENE,1,3-BIS(CHLOROMETHYL)-2-METHYL-5-NITRO-, RefChem:72520
| Molecular Formula | C9H9Cl2NO2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.00104 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 62224-03-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1CCl)[N+](=O)[O-])CCl |
| InChIKey | TVFFHYVZRRVAGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene (CAS 62224-03-7), with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol. IUPAC: 1,3-bis(chloromethyl)-2-methyl-5-nitrobenzene.
Chemical Property Profile of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene
Property Insights of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(chloromethyl)-2-methyl-5-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 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene?
The CAS number of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene is 62224-03-7.
What is the molecular formula of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene?
The molecular formula of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene is C9H9Cl2NO2.
What is the molecular weight of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene?
The molecular weight of 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene is 233.00 g/mol.
Where can I buy 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene?
You can request a quote for 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.