Ethyl 1,1-dimethylindan-4-carboxylate
TL;DR: Ethyl 1,1-dimethylindan-4-carboxylate (CAS 55591-12-3) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate
Also Known As: Ethyl 1,1-dimethylindan-4-carboxylate, 1,1-Dimethylindan-4-carbonsaeureethylester, Ethyl 1,1-dimethyl-4-indanecarboxylate #, ethyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate, 1,1-Dimethylindane-4-carboxylic acid ethyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 55591-12-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCC(C2=CC=C1)(C)C |
| InChIKey | JAWKNTBIAIQVDD-UHFFFAOYSA-N |
Product Overview
Ethyl 1,1-dimethylindan-4-carboxylate (CAS 55591-12-3), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: ethyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate.
Chemical Property Profile of Ethyl 1,1-dimethylindan-4-carboxylate
Property Insights of Ethyl 1,1-dimethylindan-4-carboxylate
The XLogP value of 3.9 indicates that Ethyl 1,1-dimethylindan-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1,1-dimethylindan-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,1-dimethylindan-4-carboxylate has 0 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 Ethyl 1,1-dimethylindan-4-carboxylate?
The CAS number of Ethyl 1,1-dimethylindan-4-carboxylate is 55591-12-3.
What is the molecular formula of Ethyl 1,1-dimethylindan-4-carboxylate?
The molecular formula of Ethyl 1,1-dimethylindan-4-carboxylate is C14H18O2.
What is the molecular weight of Ethyl 1,1-dimethylindan-4-carboxylate?
The molecular weight of Ethyl 1,1-dimethylindan-4-carboxylate is 218.13 g/mol.
Where can I buy Ethyl 1,1-dimethylindan-4-carboxylate?
You can request a quote for Ethyl 1,1-dimethylindan-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,1-dimethylindan-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,1-dimethylindan-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.