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Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate
TL;DR: Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate (CAS 32280-53-8) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate
Also Known As: 2-methylindene oxide, ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate, ethyl 4-[(2-hydroxy-2-methyl-2,3-dihydro-1h-inden-1-yl)amino]benzoate, ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]ben, Benzoic acid,4-[(2,3-dihydro-2-hydroxy-2-methyl-1H-inden-1-yl)amino]-, ethyl ester
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 32280-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3CC2(C)O |
| InChIKey | ZFMOWXKHBPCUSD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate (CAS 32280-53-8), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate
Property Insights of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate
The XLogP value of 3.3 indicates that Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate has 2 hydrogen bond donor(s) and 4 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 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate?
The CAS number of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate is 32280-53-8.
What is the molecular formula of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate?
The molecular formula of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate is C19H21NO3.
What is the molecular weight of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate?
The molecular weight of Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate is 311.15 g/mol.
Where can I buy Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate?
You can request a quote for Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.