![N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide structure](/static/products/488/488725-77-5.png)
N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide
TL;DR: N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide (CAS 488725-77-5) is a chemical compound with molecular formula C20H17BrN4O2 and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-(3-methylanilino)acetamide
Also Known As: N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide, N-[(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(3-methylanilino)acetamide, N-[(E)-(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(3-methylanilino)acetamide, N-[(Z)-(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-2-(3-methylanilino)acetamide, (Z)-N'-(5-bromo-2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)-2-(m-tolylamino)acetohydrazide
| Molecular Formula | C20H17BrN4O2 |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 4.77342 |
| Topological Polar Surface Area | 78.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.0535 |
| Heavy Atoms | 27 |
| Complexity | 1079.5106 |
Chemical Identifiers
| CAS Number | 488725-77-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Br)CC#C)O |
Product Overview
N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide (CAS 488725-77-5), with molecular formula C20H17BrN4O2 and molecular weight 424.05 g/mol. IUPAC: N-(5-bromo-2-hydroxy-1-prop-2-ynylindol-3-yl)imino-2-(3-methylanilino)acetamide.
Chemical Property Profile of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide
Property Insights of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide
The XLogP value of 4.77342 indicates that N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide. Following Lipinski's Rule of Five, N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide has 2 hydrogen bond donor(s) and 4 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 N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide?
The CAS number of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide is 488725-77-5.
What is the molecular formula of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide?
The molecular formula of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide is C20H17BrN4O2.
What is the molecular weight of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide?
The molecular weight of N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide is 424.05 g/mol.
Where can I buy N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide?
You can request a quote for N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-bromo-2-oxo-1-prop-2-ynyl-indol-3-ylidene)amino]-2-[(3-methylphenyl)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.