![N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide structure](/static/products/6946/6946-42-5.webp)
N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
TL;DR: N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CAS 6946-42-5) is a chemical compound with molecular formula C22H15Br3N2O4 and molecular weight 607.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
Also Known As: N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide, N-[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
| Molecular Formula | C22H15Br3N2O4 |
|---|---|
| Molecular Weight | 607.86 g/mol |
| LogP | 6.81382 |
| Topological Polar Surface Area | 84.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 607.8582 |
| Heavy Atoms | 31 |
| Complexity | 1280.4009 |
Chemical Identifiers
| CAS Number | 6946-42-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)O)Br)Br)Br |
Product Overview
N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CAS 6946-42-5), with molecular formula C22H15Br3N2O4 and molecular weight 607.86 g/mol. IUPAC: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.
Chemical Property Profile of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
Property Insights of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
The XLogP value of 6.81382 indicates that N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide. Following Lipinski's Rule of Five, N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide has 2 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 N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The CAS number of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is 6946-42-5.
What is the molecular formula of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The molecular formula of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is C22H15Br3N2O4.
What is the molecular weight of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The molecular weight of N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is 607.86 g/mol.
Where can I buy N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
You can request a quote for N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(2,4-dibromo-6-methylphenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.