Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-
TL;DR: Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- (CAS 54196-90-6) is a chemical compound with molecular formula C14H14Cl2O4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dichloro-2-ethyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
Also Known As: oxyaceticacid, 6,7-Dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxyacetic acid, (6,7-Dichloro-2-ethyl-2-methyl-1-oxoindan-5-yl)oxyacetic acid, ACETIC ACID, 6,7-DICHLORO-2-ETHYL-2-METHYL-1-OXO-5-INDANYLOXY-, 2-[(6,7-dichloro-2-ethyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
| Molecular Formula | C14H14Cl2O4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.02692 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 54196-90-6 |
|---|---|
| SMILES | CCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C |
| InChIKey | GCWIEWHVHGXXHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- (CAS 54196-90-6), with molecular formula C14H14Cl2O4 and molecular weight 316.03 g/mol. IUPAC: 2-[(6,7-dichloro-2-ethyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid.
Chemical Property Profile of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-
Property Insights of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-
The XLogP value of 3.8 indicates that Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-. Following Lipinski's Rule of Five, Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- has 1 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 Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-?
The CAS number of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- is 54196-90-6.
What is the molecular formula of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-?
The molecular formula of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- is C14H14Cl2O4.
What is the molecular weight of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-?
The molecular weight of Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- is 316.03 g/mol.
Where can I buy Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-?
You can request a quote for Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 6,7-dichloro-2-ethyl-2-methyl-1-oxo-5-indanyloxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.