3'-氯-2,4-二硝基二苯胺
TL;DR: 3'-氯-2,4-二硝基二苯胺 (CAS 16220-58-9) is a chemical compound with molecular formula C12H8ClN3O4 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-氯-2,4-二硝基二苯胺
N-(3-chlorophenyl)-2,4-dinitroaniline
Also Known As: N-(3-chlorophenyl)-2,4-dinitroaniline, N-(3-CHLOROPHENYL)-2,4-DINITROBENZENAMINE, 3'-Chlor-2.4-dinitro-diphenylamin, 2,4-dinitro-3'-chloro diphenylamine, Benzenamine,N-(3-chlorophenyl)-2,4-dinitro-
| Molecular Formula | C12H8ClN3O4 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.02032 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 16220-58-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YLMKHXBXDKWQSO-UHFFFAOYSA-N |
Product Overview
3'-氯-2,4-二硝基二苯胺 (CAS 16220-58-9), with molecular formula C12H8ClN3O4 and molecular weight 293.02 g/mol. IUPAC: N-(3-chlorophenyl)-2,4-dinitroaniline.
Chemical Property Profile of 3'-氯-2,4-二硝基二苯胺
Property Insights of 3'-氯-2,4-二硝基二苯胺
The XLogP value of 4.4 indicates that 3'-氯-2,4-二硝基二苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-氯-2,4-二硝基二苯胺. Following Lipinski's Rule of Five, 3'-氯-2,4-二硝基二苯胺 has 1 hydrogen bond donor(s) and 5 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 3'-氯-2,4-二硝基二苯胺?
The CAS number of 3'-氯-2,4-二硝基二苯胺 is 16220-58-9.
What is the molecular formula of 3'-氯-2,4-二硝基二苯胺?
The molecular formula of 3'-氯-2,4-二硝基二苯胺 is C12H8ClN3O4.
What is the molecular weight of 3'-氯-2,4-二硝基二苯胺?
The molecular weight of 3'-氯-2,4-二硝基二苯胺 is 293.02 g/mol.
Where can I buy 3'-氯-2,4-二硝基二苯胺?
You can request a quote for 3'-氯-2,4-二硝基二苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-氯-2,4-二硝基二苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3'-氯-2,4-二硝基二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.