Benzyl hydroxycarbamate
TL;DR: Benzyl hydroxycarbamate (CAS 3426-71-9) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-hydroxycarbamate
Also Known As: Benzyl N-hydroxycarbamate, Benzyl hydroxycarbamate, N-Cbz-hydroxylamine, Benzylhydroxycarbamate, N-Benzyloxycarbonylhydroxylamine
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3426-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NO |
| InChIKey | PQBSPTAPCMSZAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl hydroxycarbamate (CAS 3426-71-9), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: benzyl N-hydroxycarbamate.
Chemical Property Profile of Benzyl hydroxycarbamate
Property Insights of Benzyl hydroxycarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl hydroxycarbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Benzyl hydroxycarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl hydroxycarbamate 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 Benzyl hydroxycarbamate?
The CAS number of Benzyl hydroxycarbamate is 3426-71-9.
What is the molecular formula of Benzyl hydroxycarbamate?
The molecular formula of Benzyl hydroxycarbamate is C8H9NO3.
What is the molecular weight of Benzyl hydroxycarbamate?
The molecular weight of Benzyl hydroxycarbamate is 167.06 g/mol.
Where can I buy Benzyl hydroxycarbamate?
You can request a quote for Benzyl hydroxycarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl hydroxycarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl hydroxycarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.