tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate
TL;DR: tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate (CAS 363590-49-2) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(3-formylindol-1-yl)acetate
Also Known As: tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate, tert-butyl 2-(3-formylindol-1-yl)acetate, 1H-Indole-1-acetic acid, 3-formyl-, 1,1-dimethylethyl ester, tert-butyl (3-formyl-1H-indol-1-yl)acetate, t-Butyl 2-(3-formyl-1H-indol-1-yl)acetate
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.7955 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 619.84265 |
Chemical Identifiers
| CAS Number | 363590-49-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C=C(C2=CC=CC=C21)C=O |
Product Overview
tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate (CAS 363590-49-2), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: tert-butyl 2-(3-formylindol-1-yl)acetate.
Chemical Property Profile of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate
Property Insights of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate
The XLogP value of 2.7955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate 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 2-(3-formyl-1H-indol-1-yl)acetate?
The CAS number of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate is 363590-49-2.
What is the molecular formula of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate?
The molecular formula of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate is C15H17NO3.
What is the molecular weight of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate?
The molecular weight of tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate is 259.12 g/mol.
Where can I buy tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate?
You can request a quote for tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-(3-formyl-1H-indol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.