Propyl nitrocarbamate
TL;DR: Propyl nitrocarbamate (CAS 354772-95-5) is a chemical compound with molecular formula C4H8N2O4 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N-nitrocarbamate
Also Known As: propyl nitrocarbamate, propyl N-nitrocarbamate, N',N'-DIOXOPROPOXYCARBOHYDRAZIDE, Nitrocarbamic acid propyl ester
| Molecular Formula | C4H8N2O4 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 0.3143 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0484 |
| Heavy Atoms | 10 |
| Complexity | 135.21928 |
Chemical Identifiers
| CAS Number | 354772-95-5 |
|---|---|
| SMILES | CCCOC(=O)N[N+](=O)[O-] |
Product Overview
Propyl nitrocarbamate (CAS 354772-95-5), with molecular formula C4H8N2O4 and molecular weight 148.05 g/mol. IUPAC: propyl N-nitrocarbamate.
Chemical Property Profile of Propyl nitrocarbamate
Property Insights of Propyl nitrocarbamate
The XLogP value of 0.3143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl nitrocarbamate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl nitrocarbamate. Following Lipinski's Rule of Five, Propyl nitrocarbamate has 1 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 Propyl nitrocarbamate?
The CAS number of Propyl nitrocarbamate is 354772-95-5.
What is the molecular formula of Propyl nitrocarbamate?
The molecular formula of Propyl nitrocarbamate is C4H8N2O4.
What is the molecular weight of Propyl nitrocarbamate?
The molecular weight of Propyl nitrocarbamate is 148.05 g/mol.
Where can I buy Propyl nitrocarbamate?
You can request a quote for Propyl nitrocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl nitrocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl nitrocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.