1-Allyl-1-nitrosourea
TL;DR: 1-Allyl-1-nitrosourea (CAS 760-56-5) is a chemical compound with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1-prop-2-enylurea
Also Known As: Allylnitrosourea, 1-Allyl-1-nitrosourea, Nitrosoallylurea, N-Allyl-N-nitrosourea, Urea, 1-allyl-1-nitroso-
| Molecular Formula | C4H7N3O2 |
|---|---|
| Molecular Weight | 129.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.05383 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 760-56-5 |
|---|---|
| SMILES | C=CCN(C(=O)N)N=O |
| InChIKey | WBBDVRPSJSJSPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allyl-1-nitrosourea (CAS 760-56-5), with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol. IUPAC: 1-nitroso-1-prop-2-enylurea.
Chemical Property Profile of 1-Allyl-1-nitrosourea
Property Insights of 1-Allyl-1-nitrosourea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-1-nitrosourea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-1-nitrosourea. Following Lipinski's Rule of Five, 1-Allyl-1-nitrosourea has 1 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 1-Allyl-1-nitrosourea?
The CAS number of 1-Allyl-1-nitrosourea is 760-56-5.
What is the molecular formula of 1-Allyl-1-nitrosourea?
The molecular formula of 1-Allyl-1-nitrosourea is C4H7N3O2.
What is the molecular weight of 1-Allyl-1-nitrosourea?
The molecular weight of 1-Allyl-1-nitrosourea is 129.05 g/mol.
Where can I buy 1-Allyl-1-nitrosourea?
You can request a quote for 1-Allyl-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.