![Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate structure](/static/products/1157/115728-96-6.webp)
Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate
TL;DR: Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate (CAS 115728-96-6) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamate
Also Known As: Z-Thr-NH2, Z-Thr-NH, Benzyloxycarbonyl threonine amide, benzyloxycarbonylthreonine amide, EINECS 293-840-4
Technical Specifications
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.11101 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | CC(C(C(=O)N)NC(=O)OCC1=CC=CC=C1)O |
| InChIKey | PYZXYZOBPGPOFQ-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate
Property Insights of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate. Following Lipinski's Rule of Five, Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]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
What is the CAS number of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate?
The CAS number of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate is 115728-96-6.
What is the molecular formula of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate?
The molecular formula of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate is C12H16N2O4.
What is the molecular weight of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate?
The molecular weight of Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate is 252.11101 g/mol.
Where can I buy Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate?
You can request a quote for Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.