ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate
TL;DR: ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate (CAS 58178-23-7) is a chemical compound with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate
Also Known As: ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate, dicarbamoylmethyl-carbamic acid ethyl ester, ETHYL N-(DICARBAMOYLMETHYL)CARBAMATE, 3-Amino-N~2~-(ethoxycarbonyl)-3-oxoalaninamide
| Molecular Formula | C6H11N3O4 |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.07495 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 58178-23-7 |
|---|---|
| SMILES | CCOC(=O)NC(C(=O)N)C(=O)N |
| InChIKey | CGYGZCOGRCBDAM-UHFFFAOYSA-N |
Product Overview
ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate (CAS 58178-23-7), with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol. IUPAC: ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate.
Chemical Property Profile of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate
Property Insights of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate
The XLogP value of -1.6 indicates that ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate has 3 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 ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate?
The CAS number of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate is 58178-23-7.
What is the molecular formula of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate?
The molecular formula of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate is C6H11N3O4.
What is the molecular weight of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate?
The molecular weight of ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate is 189.07 g/mol.
Where can I buy ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate?
You can request a quote for ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1,3-diamino-1,3-dioxopropan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.