3-氯-N-(4-硝基苯基)苯胺
TL;DR: 3-氯-N-(4-硝基苯基)苯胺 (CAS 15979-85-8) is a chemical compound with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-N-(4-硝基苯基)苯胺
3-chloro-N-(4-nitrophenyl)aniline
Also Known As: 3-chloro-N-(4-nitrophenyl)aniline, 3-CHLORO-N-(4-NITROPHENYL)BENZENAMINE, N-(3-CHLOROPHENYL)-4-NITROANILINE, (3-chloro-phenyl)-(4-nitro-phenyl)-amine, J1.557.034B
| Molecular Formula | C12H9ClN2O2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.03525 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 15979-85-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YAIIWQVBUFUMSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-N-(4-硝基苯基)苯胺 (CAS 15979-85-8), with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol. IUPAC: 3-chloro-N-(4-nitrophenyl)aniline.
Chemical Property Profile of 3-氯-N-(4-硝基苯基)苯胺
Property Insights of 3-氯-N-(4-硝基苯基)苯胺
The XLogP value of 4.4 indicates that 3-氯-N-(4-硝基苯基)苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-氯-N-(4-硝基苯基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-N-(4-硝基苯基)苯胺 has 1 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 3-氯-N-(4-硝基苯基)苯胺?
The CAS number of 3-氯-N-(4-硝基苯基)苯胺 is 15979-85-8.
What is the molecular formula of 3-氯-N-(4-硝基苯基)苯胺?
The molecular formula of 3-氯-N-(4-硝基苯基)苯胺 is C12H9ClN2O2.
What is the molecular weight of 3-氯-N-(4-硝基苯基)苯胺?
The molecular weight of 3-氯-N-(4-硝基苯基)苯胺 is 248.04 g/mol.
Where can I buy 3-氯-N-(4-硝基苯基)苯胺?
You can request a quote for 3-氯-N-(4-硝基苯基)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-N-(4-硝基苯基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-N-(4-硝基苯基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.