1-Cyclopropyl-3-methyl-3-nitrosourea
TL;DR: 1-Cyclopropyl-3-methyl-3-nitrosourea (CAS 80413-71-4) is a chemical compound with molecular formula C5H9N3O2 and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropyl-1-methyl-1-nitrosourea
Also Known As: 1-Cyclopropyl-3-methyl-3-nitrosourea, N-Methyl-N'-cyclopropyl-N-nitrosourea, Urea, 1-cyclopropyl-3-methyl-3-nitroso-, 3-cyclopropyl-1-methyl-1-nitrosourea, N'-Cyclopropyl-N-methyl-N-nitrosourea
| Molecular Formula | C5H9N3O2 |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.06947 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 80413-71-4 |
|---|---|
| SMILES | CN(C(=O)NC1CC1)N=O |
| InChIKey | ZRHLWZIFTHTMNK-UHFFFAOYSA-N |
Product Overview
1-Cyclopropyl-3-methyl-3-nitrosourea (CAS 80413-71-4), with molecular formula C5H9N3O2 and molecular weight 143.07 g/mol. IUPAC: 3-cyclopropyl-1-methyl-1-nitrosourea.
Chemical Property Profile of 1-Cyclopropyl-3-methyl-3-nitrosourea
Property Insights of 1-Cyclopropyl-3-methyl-3-nitrosourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopropyl-3-methyl-3-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyclopropyl-3-methyl-3-nitrosourea. Following Lipinski's Rule of Five, 1-Cyclopropyl-3-methyl-3-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-Cyclopropyl-3-methyl-3-nitrosourea?
The CAS number of 1-Cyclopropyl-3-methyl-3-nitrosourea is 80413-71-4.
What is the molecular formula of 1-Cyclopropyl-3-methyl-3-nitrosourea?
The molecular formula of 1-Cyclopropyl-3-methyl-3-nitrosourea is C5H9N3O2.
What is the molecular weight of 1-Cyclopropyl-3-methyl-3-nitrosourea?
The molecular weight of 1-Cyclopropyl-3-methyl-3-nitrosourea is 143.07 g/mol.
Where can I buy 1-Cyclopropyl-3-methyl-3-nitrosourea?
You can request a quote for 1-Cyclopropyl-3-methyl-3-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopropyl-3-methyl-3-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropyl-3-methyl-3-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.