benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate
TL;DR: benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate (CAS 962-51-6) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate
Also Known As: benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate, Benzyl (1,4-diamino-1,4-dioxobutan-2-yl)carbamate
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 962-51-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)N |
| InChIKey | NGQXBWKMPPALND-UHFFFAOYSA-N |
Product Overview
benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate (CAS 962-51-6), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate.
Chemical Property Profile of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate
Property Insights of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate
The XLogP value of -0.5 indicates that benzyl N-(1,4-diamino-1,4-dioxobutan-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 benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate. Following Lipinski's Rule of Five, benzyl N-(1,4-diamino-1,4-dioxobutan-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 benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate?
The CAS number of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate is 962-51-6.
What is the molecular formula of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate?
The molecular formula of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate is C12H15N3O4.
What is the molecular weight of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate?
The molecular weight of benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate is 265.11 g/mol.
Where can I buy benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate?
You can request a quote for benzyl N-(1,4-diamino-1,4-dioxobutan-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 benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(1,4-diamino-1,4-dioxobutan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.