N-Nitroso-N-(phenylmethyl)urea
TL;DR: N-Nitroso-N-(phenylmethyl)urea (CAS 775-11-1) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-nitrosourea
Also Known As: 1-benzyl-1-nitrosourea, N-Benzyl-N-nitrosourea, Benzylnitrosourea, N-Benzylnitrosourea, N-Nitrosobenzylurea
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 775-11-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(C(=O)N)N=O |
| InChIKey | HBOGKXXMRLVGFX-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(phenylmethyl)urea (CAS 775-11-1), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: 1-benzyl-1-nitrosourea.
Chemical Property Profile of N-Nitroso-N-(phenylmethyl)urea
Property Insights of N-Nitroso-N-(phenylmethyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(phenylmethyl)urea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitroso-N-(phenylmethyl)urea. Following Lipinski's Rule of Five, N-Nitroso-N-(phenylmethyl)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 N-Nitroso-N-(phenylmethyl)urea?
The CAS number of N-Nitroso-N-(phenylmethyl)urea is 775-11-1.
What is the molecular formula of N-Nitroso-N-(phenylmethyl)urea?
The molecular formula of N-Nitroso-N-(phenylmethyl)urea is C8H9N3O2.
What is the molecular weight of N-Nitroso-N-(phenylmethyl)urea?
The molecular weight of N-Nitroso-N-(phenylmethyl)urea is 179.07 g/mol.
Where can I buy N-Nitroso-N-(phenylmethyl)urea?
You can request a quote for N-Nitroso-N-(phenylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-(phenylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(phenylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.