Aniline, 4-chloro-N-methyl-3-nitro-
TL;DR: Aniline, 4-chloro-N-methyl-3-nitro- (CAS 16330-03-3) is a chemical compound with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-methyl-3-nitroaniline
Also Known As: 4-chloro-N-methyl-3-nitroaniline, Aniline, 4-chloro-N-methyl-3-nitro-, 4-CHLORO-N-METHYL-3-NITRO-ANILINE, Aniline, 4-chloro-N-methyl-3-nitro-,, Benzenamine,4-chloro-N-methyl-3-nitro-
| Molecular Formula | C7H7ClN2O2 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.0196 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 16330-03-3 |
|---|---|
| SMILES | CNC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | AKWYUIABSIEMJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, 4-chloro-N-methyl-3-nitro- (CAS 16330-03-3), with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol. IUPAC: 4-chloro-N-methyl-3-nitroaniline.
Chemical Property Profile of Aniline, 4-chloro-N-methyl-3-nitro-
Property Insights of Aniline, 4-chloro-N-methyl-3-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, 4-chloro-N-methyl-3-nitro-. With a topological polar surface area (TPSA) of 57.9 Ų, Aniline, 4-chloro-N-methyl-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, 4-chloro-N-methyl-3-nitro- 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 Aniline, 4-chloro-N-methyl-3-nitro-?
The CAS number of Aniline, 4-chloro-N-methyl-3-nitro- is 16330-03-3.
What is the molecular formula of Aniline, 4-chloro-N-methyl-3-nitro-?
The molecular formula of Aniline, 4-chloro-N-methyl-3-nitro- is C7H7ClN2O2.
What is the molecular weight of Aniline, 4-chloro-N-methyl-3-nitro-?
The molecular weight of Aniline, 4-chloro-N-methyl-3-nitro- is 186.02 g/mol.
Where can I buy Aniline, 4-chloro-N-methyl-3-nitro-?
You can request a quote for Aniline, 4-chloro-N-methyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, 4-chloro-N-methyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, 4-chloro-N-methyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.