1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate
TL;DR: 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate (CAS 163229-48-9) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate
Also Known As: 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate, 1-(tert-Butyl) 2-methyl 1H-indole-1,2-dicarboxylate, 1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate, tert-butyl methyl 1h-indole-1,2-dicarboxylate, Methyl 1-boc-1H-indole-2-carboxylate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 3.2111 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 664.0536 |
Chemical Identifiers
| CAS Number | 163229-48-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C(=O)OC |
Product Overview
1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate (CAS 163229-48-9), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: 1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate.
Chemical Property Profile of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate
Property Insights of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate
The XLogP value of 3.2111 indicates that 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate has 0 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 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate?
The CAS number of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate is 163229-48-9.
What is the molecular formula of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate?
The molecular formula of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate is C15H17NO4.
What is the molecular weight of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate?
The molecular weight of 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate is 275.12 g/mol.
Where can I buy 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate?
You can request a quote for 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl 2-methyl 1H-indole-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.