Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
TL;DR: Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate (CAS 130469-60-2) is a chemical compound with molecular formula C15H21NO5S and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
Also Known As: Oxetanocin deriv., Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate, (+/-)-2,3-Dihydro-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester, 1H-Indole-1-carboxylicacid, 2,3-dihydro-3-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester, tert-Butyl 3-{[(methanesulfonyl)oxy]methyl}-2,3-dihydro-1H-indole-1-carboxylate
| Molecular Formula | C15H21NO5S |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.11404 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 130469-60-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(C2=CC=CC=C21)COS(=O)(=O)C |
| InChIKey | CVDVWWSOEUWIED-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate (CAS 130469-60-2), with molecular formula C15H21NO5S and molecular weight 327.11 g/mol. IUPAC: tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate.
Chemical Property Profile of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
Property Insights of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate has 0 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 Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate?
The CAS number of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate is 130469-60-2.
What is the molecular formula of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate?
The molecular formula of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate is C15H21NO5S.
What is the molecular weight of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate?
The molecular weight of Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate is 327.11 g/mol.
Where can I buy Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate?
You can request a quote for Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.