5-chloro-2-nitro-N-(1-phenylethyl)aniline
TL;DR: 5-chloro-2-nitro-N-(1-phenylethyl)aniline (CAS 330830-31-4) is a chemical compound with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-nitro-N-(1-phenylethyl)aniline
Also Known As: 5-chloro-2-nitro-N-(1-phenylethyl)aniline, (5-chloro-2-nitrophenyl)(phenylethyl)amine, N-(1-phenylethyl)-5-chloro-2-nitroaniline, A2546/0108365
| Molecular Formula | C14H13ClN2O2 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 4.4213 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06656 |
| Heavy Atoms | 19 |
| Complexity | 587.25476 |
Chemical Identifiers
| CAS Number | 330830-31-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
Product Overview
5-chloro-2-nitro-N-(1-phenylethyl)aniline (CAS 330830-31-4), with molecular formula C14H13ClN2O2 and molecular weight 276.07 g/mol. IUPAC: 5-chloro-2-nitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 5-chloro-2-nitro-N-(1-phenylethyl)aniline
Property Insights of 5-chloro-2-nitro-N-(1-phenylethyl)aniline
The XLogP value of 4.4213 indicates that 5-chloro-2-nitro-N-(1-phenylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 5-chloro-2-nitro-N-(1-phenylethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-nitro-N-(1-phenylethyl)aniline 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 5-chloro-2-nitro-N-(1-phenylethyl)aniline?
The CAS number of 5-chloro-2-nitro-N-(1-phenylethyl)aniline is 330830-31-4.
What is the molecular formula of 5-chloro-2-nitro-N-(1-phenylethyl)aniline?
The molecular formula of 5-chloro-2-nitro-N-(1-phenylethyl)aniline is C14H13ClN2O2.
What is the molecular weight of 5-chloro-2-nitro-N-(1-phenylethyl)aniline?
The molecular weight of 5-chloro-2-nitro-N-(1-phenylethyl)aniline is 276.07 g/mol.
Where can I buy 5-chloro-2-nitro-N-(1-phenylethyl)aniline?
You can request a quote for 5-chloro-2-nitro-N-(1-phenylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-nitro-N-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-nitro-N-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.