Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride
TL;DR: Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride (CAS 66871-55-4) is a chemical compound with molecular formula C9H12ClN5O3 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(N'-methylcarbamimidoyl)-3-(4-nitrophenyl)urea;hydrochloride
Also Known As: N-(Imino(methylamino)methyl)-N'-(4-nitrophenyl)urea hydrochloride, Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride, 1-(N'-methylcarbamimidoyl)-3-(4-nitrophenyl)urea hydrochloride, 1-(N'-methylcarbamimidoyl)-3-(4-nitrophenyl)urea,hydrochloride, N-(N'-Methylcarbamimidoyl)-N'-(4-nitrophenyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C9H12ClN5O3 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 1.0826 |
| Topological Polar Surface Area | 122.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.06287 |
| Heavy Atoms | 18 |
| Complexity | 459.77585 |
Chemical Identifiers
| CAS Number | 66871-55-4 |
|---|---|
| SMILES | CN=C(N)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl |
Product Overview
Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride (CAS 66871-55-4), with molecular formula C9H12ClN5O3 and molecular weight 273.06 g/mol. IUPAC: 1-(N'-methylcarbamimidoyl)-3-(4-nitrophenyl)urea;hydrochloride.
Chemical Property Profile of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride
Property Insights of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride
The XLogP value of 1.0826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride. The TPSA of 122.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride has 3 hydrogen bond donor(s) and 4 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 Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride?
The CAS number of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride is 66871-55-4.
What is the molecular formula of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride?
The molecular formula of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride is C9H12ClN5O3.
What is the molecular weight of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride?
The molecular weight of Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride is 273.06 g/mol.
Where can I buy Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride?
You can request a quote for Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(imino(methylamino)methyl)-N'-(4-nitrophenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.