N-Carbobenzyloxy isoleucinol
TL;DR: N-Carbobenzyloxy isoleucinol (CAS 6216-62-2) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1-hydroxy-3-methylpentan-2-yl)carbamate
Also Known As: N-Carbobenzyloxy isoleucinol, benzyl N-(1-hydroxy-3-methylpentan-2-yl)carbamate, N-Benzyloxycarbonyl-L-isoleucinol, Benzyl 1-(hydroxymethyl)-2-methylbutylcarbamate #, benzyl ((2S,3R)-1-hydroxy-3-methylpentan-2-yl)carbamate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 6216-62-2 |
|---|---|
| SMILES | CCC(C)C(CO)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | RIESWPZCQMFUMF-UHFFFAOYSA-N |
Product Overview
N-Carbobenzyloxy isoleucinol (CAS 6216-62-2), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: benzyl N-(1-hydroxy-3-methylpentan-2-yl)carbamate.
Chemical Property Profile of N-Carbobenzyloxy isoleucinol
Property Insights of N-Carbobenzyloxy isoleucinol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbobenzyloxy isoleucinol. With a topological polar surface area (TPSA) of 58.6 Ų, N-Carbobenzyloxy isoleucinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Carbobenzyloxy isoleucinol has 2 hydrogen bond donor(s) and 3 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 N-Carbobenzyloxy isoleucinol?
The CAS number of N-Carbobenzyloxy isoleucinol is 6216-62-2.
What is the molecular formula of N-Carbobenzyloxy isoleucinol?
The molecular formula of N-Carbobenzyloxy isoleucinol is C14H21NO3.
What is the molecular weight of N-Carbobenzyloxy isoleucinol?
The molecular weight of N-Carbobenzyloxy isoleucinol is 251.15 g/mol.
Where can I buy N-Carbobenzyloxy isoleucinol?
You can request a quote for N-Carbobenzyloxy isoleucinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbobenzyloxy isoleucinol?
Yes, KEHONG BIO provides custom synthesis services for N-Carbobenzyloxy isoleucinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.