Diethyl 2-((tert-butoxycarbonyl)amino)malonate
TL;DR: Diethyl 2-((tert-butoxycarbonyl)amino)malonate (CAS 102916-66-5) is a chemical compound with molecular formula C12H21NO6 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
Also Known As: Diethyl (Boc-amino)malonate, Diethyl 2-(tert-butoxycarbonylamino)malonate, Diethyl 2-((tert-butoxycarbonyl)amino)malonate, Diethyl(Boc-amino)malonate, Diethyl 2-(Boc-amino)malonate
| Molecular Formula | C12H21NO6 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 275.1369 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 102916-66-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C |
| InChIKey | ULRLHEXGRUWQLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-((tert-butoxycarbonyl)amino)malonate (CAS 102916-66-5), with molecular formula C12H21NO6 and molecular weight 275.14 g/mol. IUPAC: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate.
Chemical Property Profile of Diethyl 2-((tert-butoxycarbonyl)amino)malonate
Property Insights of Diethyl 2-((tert-butoxycarbonyl)amino)malonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-((tert-butoxycarbonyl)amino)malonate. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-((tert-butoxycarbonyl)amino)malonate. Following Lipinski's Rule of Five, Diethyl 2-((tert-butoxycarbonyl)amino)malonate has 1 hydrogen bond donor(s) and 6 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 Diethyl 2-((tert-butoxycarbonyl)amino)malonate?
The CAS number of Diethyl 2-((tert-butoxycarbonyl)amino)malonate is 102916-66-5.
What is the molecular formula of Diethyl 2-((tert-butoxycarbonyl)amino)malonate?
The molecular formula of Diethyl 2-((tert-butoxycarbonyl)amino)malonate is C12H21NO6.
What is the molecular weight of Diethyl 2-((tert-butoxycarbonyl)amino)malonate?
The molecular weight of Diethyl 2-((tert-butoxycarbonyl)amino)malonate is 275.14 g/mol.
Where can I buy Diethyl 2-((tert-butoxycarbonyl)amino)malonate?
You can request a quote for Diethyl 2-((tert-butoxycarbonyl)amino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-((tert-butoxycarbonyl)amino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-((tert-butoxycarbonyl)amino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.