1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea
TL;DR: 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea (CAS 78166-31-1) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-3-phenyl-1-(trideuteriomethyl)urea
Also Known As: MPNU, 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea, 1-Methyl-d(sup 3)-1-nitroso-3-phenylurea, Urea, 1-methyl-d(sup 3)-1-nitroso-3-phenyl-, 3-(2H3)methyl-3-nitroso-1-phenylurea
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.8317 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0883 |
| Heavy Atoms | 13 |
| Complexity | 379.86496 |
Chemical Identifiers
| CAS Number | 78166-31-1 |
|---|---|
| SMILES | [2H]C([2H])([2H])N(C(=O)NC1=CC=CC=C1)N=O |
Product Overview
1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea (CAS 78166-31-1), with molecular formula C8H9N3O2 and molecular weight 182.09 g/mol. IUPAC: 1-nitroso-3-phenyl-1-(trideuteriomethyl)urea.
Chemical Property Profile of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea
Property Insights of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea
The XLogP value of 1.8317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea. Following Lipinski's Rule of Five, 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea 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-Nitroso-3-phenyl-1-(trideuteriomethyl)urea?
The CAS number of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea is 78166-31-1.
What is the molecular formula of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea?
The molecular formula of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea is C8H9N3O2.
What is the molecular weight of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea?
The molecular weight of 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea is 182.09 g/mol.
Where can I buy 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea?
You can request a quote for 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-3-phenyl-1-(trideuteriomethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.