4-ACRYLAMIDOBENZO-18-CROWN-6, 98
TL;DR: 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 (CAS 606486-45-7) is a chemical compound with molecular formula C22H21BrFN5O5 and molecular weight 533.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
Also Known As: 4-ACRYLAMIDOBENZO-18-CROWN-6, 98, N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
| Molecular Formula | C22H21BrFN5O5 |
|---|---|
| Molecular Weight | 533.07 g/mol |
| LogP | 4.04764 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.071 |
| Heavy Atoms | 34 |
| Complexity | 1260.7225 |
Chemical Identifiers
| CAS Number | 606486-45-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC)C)[N+](=O)[O-] |
Product Overview
4-ACRYLAMIDOBENZO-18-CROWN-6, 98 (CAS 606486-45-7), with molecular formula C22H21BrFN5O5 and molecular weight 533.07 g/mol. IUPAC: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98
Property Insights of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98
The XLogP value of 4.04764 indicates that 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ACRYLAMIDOBENZO-18-CROWN-6, 98. Following Lipinski's Rule of Five, 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98?
The CAS number of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 is 606486-45-7.
What is the molecular formula of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98?
The molecular formula of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 is C22H21BrFN5O5.
What is the molecular weight of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98?
The molecular weight of 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 is 533.07 g/mol.
Where can I buy 4-ACRYLAMIDOBENZO-18-CROWN-6, 98?
You can request a quote for 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ACRYLAMIDOBENZO-18-CROWN-6, 98?
Yes, KEHONG BIO provides custom synthesis services for 4-ACRYLAMIDOBENZO-18-CROWN-6, 98 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.