3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one
TL;DR: 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one (CAS 5478-33-1) is a chemical compound with molecular formula C17H8Cl5NO2 and molecular weight 432.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-acetylanilino)-2,4,5,6,7-pentachloroinden-1-one
Also Known As: 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one, BIM-0006325.P001, 3-(3-acetylanilino)-2,4,5,6,7-pentachloroinden-1-one, 3-[(3-acetylphenyl)amino]-2,4,5,6,7-pentachloro-1H-inden-1-one
| Molecular Formula | C17H8Cl5NO2 |
|---|---|
| Molecular Weight | 432.90 g/mol |
| LogP | 6.7186 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.89978 |
| Heavy Atoms | 25 |
| Complexity | 981.4889 |
Chemical Identifiers
| CAS Number | 5478-33-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl |
Product Overview
3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one (CAS 5478-33-1), with molecular formula C17H8Cl5NO2 and molecular weight 432.90 g/mol. IUPAC: 3-(3-acetylanilino)-2,4,5,6,7-pentachloroinden-1-one.
Chemical Property Profile of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one
Property Insights of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one
The XLogP value of 6.7186 indicates that 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one?
The CAS number of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one is 5478-33-1.
What is the molecular formula of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one?
The molecular formula of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one is C17H8Cl5NO2.
What is the molecular weight of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one?
The molecular weight of 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one is 432.90 g/mol.
Where can I buy 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one?
You can request a quote for 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Acetylanilino)-2,4,5,6,7-pentachloro-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.