benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate
TL;DR: benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate (CAS 100254-66-8) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate
Also Known As: alpha-Benzyloxycarbonyl-amino-gamma-hydroxy-butyramid, benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 100254-66-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CCO)C(=O)N |
| InChIKey | VUNCLISBKZSKFD-UHFFFAOYSA-N |
Product Overview
benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate (CAS 100254-66-8), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate.
Chemical Property Profile of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate
Property Insights of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate. Following Lipinski's Rule of Five, benzyl N-(1-amino-4-hydroxy-1-oxobutan-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-amino-4-hydroxy-1-oxobutan-2-yl)carbamate?
The CAS number of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate is 100254-66-8.
What is the molecular formula of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate?
The molecular formula of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate is C12H16N2O4.
What is the molecular weight of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate?
The molecular weight of benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate is 252.11 g/mol.
Where can I buy benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate?
You can request a quote for benzyl N-(1-amino-4-hydroxy-1-oxobutan-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-amino-4-hydroxy-1-oxobutan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(1-amino-4-hydroxy-1-oxobutan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.