2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester
TL;DR: 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester (CAS 18781-64-1) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,3-dimethyl-1,2-dihydroindol-2-yl)propanedioate
Also Known As: 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester, 2-(3,3-Dimethylindolin-2-yl)malonic acid diethyl ester, diethyl 2-(3,3-dimethyl-1,2-dihydroindol-2-yl)propanedioate, Diethyl 2-(3,3-dimethyl-2,3-dihydro-1H-indol-2-yl)malonate #, 1,3-diethyl 2-(3,3-dimethyl-2,3-dihydro-1H-indol-2-yl)propanedioate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 18781-64-1 |
|---|---|
| SMILES | CCOC(=O)C(C1C(C2=CC=CC=C2N1)(C)C)C(=O)OCC |
| InChIKey | IXTVNCDUYYHZIQ-UHFFFAOYSA-N |
Product Overview
2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester (CAS 18781-64-1), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: diethyl 2-(3,3-dimethyl-1,2-dihydroindol-2-yl)propanedioate.
Chemical Property Profile of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester
Property Insights of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester
The XLogP value of 3.6 indicates that 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester. Following Lipinski's Rule of Five, 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester has 1 hydrogen bond donor(s) and 5 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-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester?
The CAS number of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester is 18781-64-1.
What is the molecular formula of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester?
The molecular formula of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester is C17H23NO4.
What is the molecular weight of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester?
The molecular weight of 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester is 305.16 g/mol.
Where can I buy 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester?
You can request a quote for 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Indolinemalonic acid, 3,3-dimethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.