butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate
TL;DR: butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate (CAS 372157-55-6) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3-dioxoindole-1-carboxylate
Also Known As: butyl 2,3-dioxoindole-1-carboxylate, butyl 2,3-dioxoindoline-1-carboxylate, butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.1526 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 509.46765 |
Chemical Identifiers
| CAS Number | 372157-55-6 |
|---|---|
| SMILES | CCCCOC(=O)N1C2=CC=CC=C2C(=O)C1=O |
Product Overview
butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate (CAS 372157-55-6), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: butyl 2,3-dioxoindole-1-carboxylate.
Chemical Property Profile of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate
Property Insights of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate
The XLogP value of 2.1526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate. Following Lipinski's Rule of Five, butyl 2,3-dioxo-2,3-dihydro-1H-indole-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 butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate?
The CAS number of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate is 372157-55-6.
What is the molecular formula of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate?
The molecular formula of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate is C13H13NO4.
What is the molecular weight of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate?
The molecular weight of butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate is 247.08 g/mol.
Where can I buy butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate?
You can request a quote for butyl 2,3-dioxo-2,3-dihydro-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 butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2,3-dioxo-2,3-dihydro-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.