Di-tert-butyl azodicarboxylate
TL;DR: Di-tert-butyl azodicarboxylate (CAS 870-50-8) is a chemical compound with molecular formula C10H18N2O4 and molecular weight 230.13 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)oxycarbonylimino]carbamate
Also Known As: Di-tert-butyl azodicarboxylate, Di-tert-butylazodicarboxylate, Di-tert-butyl diazene-1,2-dicarboxylate, DBAD, DTAD
| Molecular Formula | C10H18N2O4 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.12666 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 870-50-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C |
| InChIKey | QKSQWQOAUQFORH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl azodicarboxylate (CAS 870-50-8), with molecular formula C10H18N2O4 and molecular weight 230.13 g/mol. IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate.
Chemical Property Profile of Di-tert-butyl azodicarboxylate
Property Insights of Di-tert-butyl azodicarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl azodicarboxylate. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl azodicarboxylate. Following Lipinski's Rule of Five, Di-tert-butyl azodicarboxylate 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 Di-tert-butyl azodicarboxylate?
The CAS number of Di-tert-butyl azodicarboxylate is 870-50-8.
What is the molecular formula of Di-tert-butyl azodicarboxylate?
The molecular formula of Di-tert-butyl azodicarboxylate is C10H18N2O4.
What is the molecular weight of Di-tert-butyl azodicarboxylate?
The molecular weight of Di-tert-butyl azodicarboxylate is 230.13 g/mol.
Where can I buy Di-tert-butyl azodicarboxylate?
You can request a quote for Di-tert-butyl azodicarboxylate 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 azodicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl azodicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.