tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate
TL;DR: tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate (CAS 1067188-28-6) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
Also Known As: J2.629.501G, tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate, tert-Butyl (R)-2-(hydroxymethyl)indoline-1-carboxylate, tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate, (2R)-2beta-(Hydroxymethyl)indoline-1-carboxylic acid tert-butyl ester
Technical Specifications
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| SMILES | CC(C)(C)OC(=O)N1[C@H](CC2=CC=CC=C21)CO |
| InChIKey | JNQNQSCDMKNYEX-LLVKDONJSA-N |
Chemical Property Profile of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate
Property Insights of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate. With a topological polar surface area (TPSA) of 49.8 Ų, tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate?
The CAS number of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate is 1067188-28-6.
What is the molecular formula of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate?
The molecular formula of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate is C14H19NO3.
What is the molecular weight of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate?
The molecular weight of tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate is 249.13649 g/mol.
Where can I buy tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate?
You can request a quote for tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-butyl (2R)-2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.