Indophenyl acetate
TL;DR: Indophenyl acetate (CAS 7761-80-0) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
Also Known As: Indophenyl acetate, INDOPHENOL ACETATE, Indolphenol acetate, Indophenolacetate, Indophenol, acetate (ester)
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 7761-80-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N=C2C=CC(=O)C=C2 |
| InChIKey | XAFOVULQFHVXSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indophenyl acetate (CAS 7761-80-0), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate.
Chemical Property Profile of Indophenyl acetate
Property Insights of Indophenyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indophenyl acetate. With a topological polar surface area (TPSA) of 55.7 Ų, Indophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indophenyl acetate has 0 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 Indophenyl acetate?
The CAS number of Indophenyl acetate is 7761-80-0.
What is the molecular formula of Indophenyl acetate?
The molecular formula of Indophenyl acetate is C14H11NO3.
What is the molecular weight of Indophenyl acetate?
The molecular weight of Indophenyl acetate is 241.07 g/mol.
Where can I buy Indophenyl acetate?
You can request a quote for Indophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Indophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.