4-chloro-N-(nitromethylideneamino)aniline
TL;DR: 4-chloro-N-(nitromethylideneamino)aniline (CAS 52817-64-8) is a chemical compound with molecular formula C7H6ClN3O2 and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(nitromethylideneamino)aniline
Also Known As: 4-chloro-N-[(E)-nitromethylideneamino]aniline
| Molecular Formula | C7H6ClN3O2 |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.01485 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 52817-64-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=C[N+](=O)[O-])Cl |
| InChIKey | QCINVSXGBZILCJ-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(nitromethylideneamino)aniline (CAS 52817-64-8), with molecular formula C7H6ClN3O2 and molecular weight 199.01 g/mol. IUPAC: 4-chloro-N-(nitromethylideneamino)aniline.
Chemical Property Profile of 4-chloro-N-(nitromethylideneamino)aniline
Property Insights of 4-chloro-N-(nitromethylideneamino)aniline
The XLogP value of 3.3 indicates that 4-chloro-N-(nitromethylideneamino)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(nitromethylideneamino)aniline. Following Lipinski's Rule of Five, 4-chloro-N-(nitromethylideneamino)aniline has 1 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 4-chloro-N-(nitromethylideneamino)aniline?
The CAS number of 4-chloro-N-(nitromethylideneamino)aniline is 52817-64-8.
What is the molecular formula of 4-chloro-N-(nitromethylideneamino)aniline?
The molecular formula of 4-chloro-N-(nitromethylideneamino)aniline is C7H6ClN3O2.
What is the molecular weight of 4-chloro-N-(nitromethylideneamino)aniline?
The molecular weight of 4-chloro-N-(nitromethylideneamino)aniline is 199.01 g/mol.
Where can I buy 4-chloro-N-(nitromethylideneamino)aniline?
You can request a quote for 4-chloro-N-(nitromethylideneamino)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(nitromethylideneamino)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(nitromethylideneamino)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.