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N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]
TL;DR: N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] (CAS 54455-37-7) is a chemical compound with molecular formula C9H5ClN2O4 and molecular weight 239.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-nitroisoindole-1,3-dione
Also Known As: N-Chloromethyl-4-nitrophthalimide, N-(Chloromethyl)-4-nitrophthalimide, 2-(Chloromethyl)-5-nitroisoindoline-1,3-dione, 2-(chloromethyl)-5-nitroisoindole-1,3-dione, 4-Nitro-N-chloromethylphthalimide
| Molecular Formula | C9H5ClN2O4 |
|---|---|
| Molecular Weight | 239.99 g/mol |
| LogP | 1.3871 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.99379 |
| Heavy Atoms | 16 |
| Complexity | 514.23047 |
Chemical Identifiers
| CAS Number | 54455-37-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCl |
Product Overview
N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] (CAS 54455-37-7), with molecular formula C9H5ClN2O4 and molecular weight 239.99 g/mol. IUPAC: 2-(chloromethyl)-5-nitroisoindole-1,3-dione.
Chemical Property Profile of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]
Property Insights of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]
The XLogP value of 1.3871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]. Following Lipinski's Rule of Five, N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] 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
Frequently Asked Questions
What is the CAS number of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]?
The CAS number of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] is 54455-37-7.
What is the molecular formula of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]?
The molecular formula of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] is C9H5ClN2O4.
What is the molecular weight of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]?
The molecular weight of N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] is 239.99 g/mol.
Where can I buy N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]?
You can request a quote for N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]?
Yes, KEHONG BIO provides custom synthesis services for N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.