Di-tert-butyl Iminodicarboxylate
TL;DR: Di-tert-butyl Iminodicarboxylate (CAS 52080-78-1) is a chemical compound with molecular formula C10H19NO4 and molecular weight 217.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Also Known As: Di-tert-butyl Iminodicarboxylate, Di-t-butyl iminodicarboxylate, diboc amine, di-boc-amine, bis-Boc amine
| Molecular Formula | C10H19NO4 |
|---|---|
| Molecular Weight | 217.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.13141 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 52080-78-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(=O)OC(C)(C)C |
| InChIKey | XCAQIUOFDMREBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl Iminodicarboxylate (CAS 52080-78-1), with molecular formula C10H19NO4 and molecular weight 217.13 g/mol. IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
Chemical Property Profile of Di-tert-butyl Iminodicarboxylate
Property Insights of Di-tert-butyl Iminodicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl Iminodicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl Iminodicarboxylate. Following Lipinski's Rule of Five, Di-tert-butyl Iminodicarboxylate has 1 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 Di-tert-butyl Iminodicarboxylate?
The CAS number of Di-tert-butyl Iminodicarboxylate is 52080-78-1.
What is the molecular formula of Di-tert-butyl Iminodicarboxylate?
The molecular formula of Di-tert-butyl Iminodicarboxylate is C10H19NO4.
What is the molecular weight of Di-tert-butyl Iminodicarboxylate?
The molecular weight of Di-tert-butyl Iminodicarboxylate is 217.13 g/mol.
Where can I buy Di-tert-butyl Iminodicarboxylate?
You can request a quote for Di-tert-butyl Iminodicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl Iminodicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl Iminodicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.