tert-butyl 3-formyl-1H-indole-1-carboxylate
TL;DR: tert-butyl 3-formyl-1H-indole-1-carboxylate (CAS 57476-50-3) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-formylindole-1-carboxylate
Also Known As: 1-Boc-3-Formylindole, tert-butyl 3-formyl-1H-indole-1-carboxylate, tert-butyl 3-formylindole-1-carboxylate, butylformylindolecarboxylate, N-Boc-indole-3-carboxaldehyde
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 3.237 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 605.0169 |
Chemical Identifiers
| CAS Number | 57476-50-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=O |
Product Overview
tert-butyl 3-formyl-1H-indole-1-carboxylate (CAS 57476-50-3), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: tert-butyl 3-formylindole-1-carboxylate.
Chemical Property Profile of tert-butyl 3-formyl-1H-indole-1-carboxylate
Property Insights of tert-butyl 3-formyl-1H-indole-1-carboxylate
The XLogP value of 3.237 indicates that tert-butyl 3-formyl-1H-indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, tert-butyl 3-formyl-1H-indole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl 3-formyl-1H-indole-1-carboxylate has 0 hydrogen bond donor(s) and 3 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-formyl-1H-indole-1-carboxylate?
The CAS number of tert-butyl 3-formyl-1H-indole-1-carboxylate is 57476-50-3.
What is the molecular formula of tert-butyl 3-formyl-1H-indole-1-carboxylate?
The molecular formula of tert-butyl 3-formyl-1H-indole-1-carboxylate is C14H15NO3.
What is the molecular weight of tert-butyl 3-formyl-1H-indole-1-carboxylate?
The molecular weight of tert-butyl 3-formyl-1H-indole-1-carboxylate is 245.11 g/mol.
Where can I buy tert-butyl 3-formyl-1H-indole-1-carboxylate?
You can request a quote for tert-butyl 3-formyl-1H-indole-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-formyl-1H-indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 3-formyl-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.