2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid
TL;DR: 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid (CAS 114917-46-3) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3-oxo-1H-inden-2-ylidene)acetic acid
Also Known As: 2-(1,3-DIHYDRO-1-OXO-2H-INDEN-2-YLIDENE)ACETIC ACID, (E)-(1-Oxoindan-2-ylidene)acetic acid, (2E)-2-(3-oxo-1H-inden-2-ylidene)acetic Acid, 2-(3-oxo-1H-inden-2-ylidene)aceticacid, 2-(3-oxo-1H-inden-2-ylidene)acetic acid
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.4364 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 443.6008 |
Chemical Identifiers
| CAS Number | 114917-46-3 |
|---|---|
| SMILES | C\1C2=CC=CC=C2C(=O)/C1=C/C(=O)O |
Product Overview
2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid (CAS 114917-46-3), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: (2E)-2-(3-oxo-1H-inden-2-ylidene)acetic acid.
Chemical Property Profile of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid
Property Insights of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid
The XLogP value of 1.4364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid 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 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid?
The CAS number of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid is 114917-46-3.
What is the molecular formula of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid?
The molecular formula of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid is C11H8O3.
What is the molecular weight of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid?
The molecular weight of 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid is 188.05 g/mol.
Where can I buy 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid?
You can request a quote for 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dihydro-1-oxo-2H-inden-2-ylidene)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.