2,5-Difluoro-4-Aminoanisole
TL;DR: 2,5-Difluoro-4-Aminoanisole (CAS 394229-49-3) is a chemical compound with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 2,5-Difluoro-4-Aminoanisole, 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0742-0020, 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide, 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydropyrazole-1-carbothioamide
| Molecular Formula | C23H20N4O3S |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 5.1515 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1256 |
| Heavy Atoms | 31 |
| Complexity | 1133.0732 |
Chemical Identifiers
| CAS Number | 394229-49-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4 |
Product Overview
2,5-Difluoro-4-Aminoanisole (CAS 394229-49-3), with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol. IUPAC: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 2,5-Difluoro-4-Aminoanisole
Property Insights of 2,5-Difluoro-4-Aminoanisole
The XLogP value of 5.1515 indicates that 2,5-Difluoro-4-Aminoanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Difluoro-4-Aminoanisole. Following Lipinski's Rule of Five, 2,5-Difluoro-4-Aminoanisole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Difluoro-4-Aminoanisole?
The CAS number of 2,5-Difluoro-4-Aminoanisole is 394229-49-3.
What is the molecular formula of 2,5-Difluoro-4-Aminoanisole?
The molecular formula of 2,5-Difluoro-4-Aminoanisole is C23H20N4O3S.
What is the molecular weight of 2,5-Difluoro-4-Aminoanisole?
The molecular weight of 2,5-Difluoro-4-Aminoanisole is 432.13 g/mol.
Where can I buy 2,5-Difluoro-4-Aminoanisole?
You can request a quote for 2,5-Difluoro-4-Aminoanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Difluoro-4-Aminoanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Difluoro-4-Aminoanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.