Propyl hydroxycarbamate
TL;DR: Propyl hydroxycarbamate (CAS 589-85-5) is a chemical compound with molecular formula C4H9NO3 and molecular weight 119.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-hydroxycarbamate
Also Known As: Propyl hydroxycarbamate, Propyl N-hydroxycarbamate, N-Hydroxycarbamicacidpropylester, N-Hydroxycarbamic acid propyl, N-Hydroxycarbamic acid propyl ester
| Molecular Formula | C4H9NO3 |
|---|---|
| Molecular Weight | 119.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.05824 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 589-85-5 |
|---|---|
| SMILES | CCCOC(=O)NO |
| InChIKey | VRJVURSXNFEXIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl hydroxycarbamate (CAS 589-85-5), with molecular formula C4H9NO3 and molecular weight 119.06 g/mol. IUPAC: propyl N-hydroxycarbamate.
Chemical Property Profile of Propyl hydroxycarbamate
Property Insights of Propyl hydroxycarbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl hydroxycarbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Propyl hydroxycarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl hydroxycarbamate?
The CAS number of Propyl hydroxycarbamate is 589-85-5.
What is the molecular formula of Propyl hydroxycarbamate?
The molecular formula of Propyl hydroxycarbamate is C4H9NO3.
What is the molecular weight of Propyl hydroxycarbamate?
The molecular weight of Propyl hydroxycarbamate is 119.06 g/mol.
Where can I buy Propyl hydroxycarbamate?
You can request a quote for Propyl hydroxycarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl hydroxycarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl hydroxycarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.