tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
TL;DR: tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate (CAS 114650-82-7) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,5-dioxopyrrole-1-carboxylate
Also Known As: N-Boc-maleinimide, N-t-butoxycarbonylmaleimide, tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate, Tert-butyl 2,5-dioxopyrrole-1-carboxylate, dioxodihydropyrrolecarboxylate
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 0.8465 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 306.19388 |
Chemical Identifiers
| CAS Number | 114650-82-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C(=O)C=CC1=O |
Product Overview
tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate (CAS 114650-82-7), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: tert-butyl 2,5-dioxopyrrole-1-carboxylate.
Chemical Property Profile of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
Property Insights of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
The XLogP value of 0.8465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-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 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate?
The CAS number of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate is 114650-82-7.
What is the molecular formula of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate?
The molecular formula of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate is C9H11NO4.
What is the molecular weight of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate?
The molecular weight of tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate is 197.07 g/mol.
Where can I buy tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate?
You can request a quote for tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-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 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.