![1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone structure](/static/products/4698/469880-57-7.webp)
1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone
TL;DR: 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone (CAS 469880-57-7) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(3-aminoisoindol-1-ylidene)amino]phenyl]ethanone
Also Known As: 1-[4-[(3-Amino-1H-isoindol-1-ylidene)amino]phenyl]ethanone, 1-[4-[(3-aminoisoindol-1-ylidene)amino]phenyl]ethanone, 1-{4-[(3-Amino-1H-isoindol-1-ylidene)amino]phenyl}ethan-1-one, 1-{4-[(3-imino-2,3-dihydro-1H-isoindol-1-ylidene)amino]phenyl}ethanone
| Molecular Formula | C16H13N3O |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10587 |
| Heavy Atoms | 20 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 469880-57-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=N2)N |
| InChIKey | LULWRIGCPOCYJI-UHFFFAOYSA-N |
Product Overview
1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone (CAS 469880-57-7), with molecular formula C16H13N3O and molecular weight 263.11 g/mol. IUPAC: 1-[4-[(3-aminoisoindol-1-ylidene)amino]phenyl]ethanone.
Chemical Property Profile of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone
Property Insights of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone has 1 hydrogen bond donor(s) and 2 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 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone?
The CAS number of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone is 469880-57-7.
What is the molecular formula of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone?
The molecular formula of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone is C16H13N3O.
What is the molecular weight of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone?
The molecular weight of 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone is 263.11 g/mol.
Where can I buy 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone?
You can request a quote for 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(3-Aminoisoindol-1-ylidene)amino]phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.