tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate
TL;DR: tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate (CAS 156422-96-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 5,6-dihydroxy-1,3-dihydroisoindole-2-carboxylate
Also Known As: tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate, tert-Butyl 5,6-dihydroxyisoindoline-2-carboxylate, Tert-butyl 5,6-dihydroxy-1,3-dihydroisoindole-2-carboxylate
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2C1)O)O |
| InChIKey | KQWRHBSEVFOOCI-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate
Property Insights of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate. Following Lipinski's Rule of Five, tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate 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
What is the CAS number of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate?
The CAS number of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate is 156422-96-7.
What is the molecular formula of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate?
The molecular formula of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate is C13H17NO4.
What is the molecular weight of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate?
The molecular weight of tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate is 251.11575 g/mol.
Where can I buy tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate?
You can request a quote for tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-butyl 5,6-dihydroxy-2,3-dihydro-1H-isoindole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.