(1-Oxoindan-2-yl)-acetic acid, methyl ester
TL;DR: (1-Oxoindan-2-yl)-acetic acid, methyl ester (CAS 112635-25-3) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-1,2-dihydroinden-2-yl)acetate
Also Known As: 1-Oxoindan-2-acetic acid methyl ester, (1-Oxoindan-2-yl)-acetic acid, methyl ester, (1-Oxo-indan-2-yl)-acetic acid methyl ester, methyl 2-(1-oxo-2,3-dihydro-1H-inden-2-yl)acetate, methyl 2-(3-oxo-1,2-dihydroinden-2-yl)acetate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 112635-25-3 |
|---|---|
| SMILES | COC(=O)CC1CC2=CC=CC=C2C1=O |
| InChIKey | YQDNSLDFCJXSDQ-UHFFFAOYSA-N |
Product Overview
(1-Oxoindan-2-yl)-acetic acid, methyl ester (CAS 112635-25-3), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: methyl 2-(3-oxo-1,2-dihydroinden-2-yl)acetate.
Chemical Property Profile of (1-Oxoindan-2-yl)-acetic acid, methyl ester
Property Insights of (1-Oxoindan-2-yl)-acetic acid, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Oxoindan-2-yl)-acetic acid, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, (1-Oxoindan-2-yl)-acetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxoindan-2-yl)-acetic acid, methyl ester has 0 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 (1-Oxoindan-2-yl)-acetic acid, methyl ester?
The CAS number of (1-Oxoindan-2-yl)-acetic acid, methyl ester is 112635-25-3.
What is the molecular formula of (1-Oxoindan-2-yl)-acetic acid, methyl ester?
The molecular formula of (1-Oxoindan-2-yl)-acetic acid, methyl ester is C12H12O3.
What is the molecular weight of (1-Oxoindan-2-yl)-acetic acid, methyl ester?
The molecular weight of (1-Oxoindan-2-yl)-acetic acid, methyl ester is 204.08 g/mol.
Where can I buy (1-Oxoindan-2-yl)-acetic acid, methyl ester?
You can request a quote for (1-Oxoindan-2-yl)-acetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Oxoindan-2-yl)-acetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxoindan-2-yl)-acetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.