Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate
TL;DR: Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate (CAS 94199-95-8) is a chemical compound with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate
Also Known As: EINECS 303-471-3, benzyl[1-2-[oxy]propyl]carbamate, benzyl[1- -2-[ oxy]propyl]carbamate, Benzyloxycarbonyl threonine amide O-mesylate, Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate
| Molecular Formula | C13H18N2O6S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 0.1314 |
| Topological Polar Surface Area | 124.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.08856 |
| Heavy Atoms | 22 |
| Complexity | 616.6773 |
Chemical Identifiers
| CAS Number | 94199-95-8 |
|---|---|
| SMILES | CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C |
Product Overview
Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate (CAS 94199-95-8), with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol. IUPAC: [4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butan-2-yl] methanesulfonate.
Chemical Property Profile of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate
Property Insights of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate
The XLogP value of 0.1314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate. The TPSA of 124.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate. Following Lipinski's Rule of Five, Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate 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 Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate?
The CAS number of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate is 94199-95-8.
What is the molecular formula of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate?
The molecular formula of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate is C13H18N2O6S.
What is the molecular weight of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate?
The molecular weight of Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate is 330.09 g/mol.
Where can I buy Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate?
You can request a quote for Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (1-(aminocarbonyl)-2-((methylsulphonyl)oxy)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.