Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate
TL;DR: Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate (CAS 885964-67-0) is a chemical compound with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate
Also Known As: tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate, tert-butyl 5-chloro-2,3-dioxoindoline-1-carboxylate, Tert-butyl 5-chloro-2,3-dioxo-indole-1-carboxylate, 5-CHLORO-2,3-DIOXO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
| Molecular Formula | C13H12ClNO4 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.8044 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.04547 |
| Heavy Atoms | 19 |
| Complexity | 588.79626 |
Chemical Identifiers
| CAS Number | 885964-67-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C1=O |
Product Overview
Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate (CAS 885964-67-0), with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol. IUPAC: tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate.
Chemical Property Profile of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate
Property Insights of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate
The XLogP value of 2.8044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate 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 Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate?
The CAS number of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate is 885964-67-0.
What is the molecular formula of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate?
The molecular formula of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate is C13H12ClNO4.
What is the molecular weight of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate?
The molecular weight of Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate is 281.05 g/mol.
Where can I buy Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate?
You can request a quote for Tert-butyl 5-chloro-2,3-dioxoindole-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 5-chloro-2,3-dioxoindole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 5-chloro-2,3-dioxoindole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.