(6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid
TL;DR: (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid (CAS 121626-22-0) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,6-dimethyl-4-oxo-2-phenyl-5,7-dihydroindol-1-yl)acetic acid
Also Known As: oxy-Chlordane, (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-indol-1-yl)-acetic acid, TIMTEC-BB SBB007351, 1223AD, BAS 01521906
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 121626-22-0 |
|---|---|
| SMILES | CC1(CC2=C(C=C(N2CC(=O)O)C3=CC=CC=C3)C(=O)C1)C |
| InChIKey | QWXIZSGZCNDDJK-UHFFFAOYSA-N |
Product Overview
(6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid (CAS 121626-22-0), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 2-(6,6-dimethyl-4-oxo-2-phenyl-5,7-dihydroindol-1-yl)acetic acid.
Chemical Property Profile of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid
Property Insights of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid
The XLogP value of 3.0 indicates that (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid?
The CAS number of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid is 121626-22-0.
What is the molecular formula of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid?
The molecular formula of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid is C18H19NO3.
What is the molecular weight of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid?
The molecular weight of (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid is 297.14 g/mol.
Where can I buy (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid?
You can request a quote for (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.