![N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea structure](/static/products/903/90346-91-1.png)
N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea
TL;DR: N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea (CAS 90346-91-1) is a chemical compound with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-1-methyl-1-nitrosourea
Also Known As: 3-[(4-chlorophenyl)methyl]-1-methyl-1-nitrosourea, 3-(4-chlorobenzyl)-1-methyl-1-nitrosourea, N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea, N-Nitroso-N-methyl-N'-(4-chlor-benzyl)-harnstoff, 3-[(4-chlorophenyl)methyl]-1-methyl-1-nitroso-urea
| Molecular Formula | C9H10ClN3O2 |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.04616 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 90346-91-1 |
|---|---|
| SMILES | CN(C(=O)NCC1=CC=C(C=C1)Cl)N=O |
| InChIKey | WCDOPVLFGFQFPN-UHFFFAOYSA-N |
Product Overview
N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea (CAS 90346-91-1), with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-1-methyl-1-nitrosourea.
Chemical Property Profile of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea
Property Insights of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea. Following Lipinski's Rule of Five, N'-[(4-Chlorophenyl)methyl]-N-methyl-N-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 N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea?
The CAS number of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea is 90346-91-1.
What is the molecular formula of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea?
The molecular formula of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea is C9H10ClN3O2.
What is the molecular weight of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea?
The molecular weight of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea is 227.05 g/mol.
Where can I buy N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea?
You can request a quote for N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.