![3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline structure](/static/products/3384/338412-96-7.webp)
3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline
TL;DR: 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline (CAS 338412-96-7) is a chemical compound with molecular formula C13H7ClF3N3O5 and molecular weight 377.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline
Also Known As: Bionet1_001682, 3-chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline, 3L-004, 3-Chloro-4-(2,6-dinitro-4-(trifluoromethyl)phenoxy)aniline
| Molecular Formula | C13H7ClF3N3O5 |
|---|---|
| Molecular Weight | 377.00 g/mol |
| LogP | 4.5497 |
| Topological Polar Surface Area | 121.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.00262 |
| Heavy Atoms | 25 |
| Complexity | 837.46857 |
Chemical Identifiers
| CAS Number | 338412-96-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline (CAS 338412-96-7), with molecular formula C13H7ClF3N3O5 and molecular weight 377.00 g/mol. IUPAC: 3-chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline.
Chemical Property Profile of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline
Property Insights of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline
The XLogP value of 4.5497 indicates that 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline. Following Lipinski's Rule of Five, 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline has 1 hydrogen bond donor(s) and 6 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-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline?
The CAS number of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline is 338412-96-7.
What is the molecular formula of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline?
The molecular formula of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline is C13H7ClF3N3O5.
What is the molecular weight of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline?
The molecular weight of 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline is 377.00 g/mol.
Where can I buy 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline?
You can request a quote for 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.