Diethyl (tert-butylamino)(formylamino)propanedioate
TL;DR: Diethyl (tert-butylamino)(formylamino)propanedioate (CAS 369401-01-4) is a chemical compound with molecular formula C12H22N2O5 and molecular weight 274.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(tert-butylamino)-2-formamidopropanedioate
Also Known As: diethyl 2-(tert-butylamino)-2-formamidomalonate, diethyl (tert-butylamino)(formylamino)propanedioate, diethyl 2-(tert-butylamino)-2-formamidopropanedioate
| Molecular Formula | C12H22N2O5 |
|---|---|
| Molecular Weight | 274.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.15286 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 369401-01-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)(NC=O)NC(C)(C)C |
| InChIKey | PKCDXEVHDMBHLM-UHFFFAOYSA-N |
Product Overview
Diethyl (tert-butylamino)(formylamino)propanedioate (CAS 369401-01-4), with molecular formula C12H22N2O5 and molecular weight 274.15 g/mol. IUPAC: diethyl 2-(tert-butylamino)-2-formamidopropanedioate.
Chemical Property Profile of Diethyl (tert-butylamino)(formylamino)propanedioate
Property Insights of Diethyl (tert-butylamino)(formylamino)propanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (tert-butylamino)(formylamino)propanedioate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (tert-butylamino)(formylamino)propanedioate. Following Lipinski's Rule of Five, Diethyl (tert-butylamino)(formylamino)propanedioate has 2 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 (tert-butylamino)(formylamino)propanedioate?
The CAS number of Diethyl (tert-butylamino)(formylamino)propanedioate is 369401-01-4.
What is the molecular formula of Diethyl (tert-butylamino)(formylamino)propanedioate?
The molecular formula of Diethyl (tert-butylamino)(formylamino)propanedioate is C12H22N2O5.
What is the molecular weight of Diethyl (tert-butylamino)(formylamino)propanedioate?
The molecular weight of Diethyl (tert-butylamino)(formylamino)propanedioate is 274.15 g/mol.
Where can I buy Diethyl (tert-butylamino)(formylamino)propanedioate?
You can request a quote for Diethyl (tert-butylamino)(formylamino)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (tert-butylamino)(formylamino)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (tert-butylamino)(formylamino)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.