Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride
TL;DR: Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride (CAS 68656-48-4) is a chemical compound with molecular formula C10H12ClN5O and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: N-(4-Cyanophenyl)-N'-(imino(methylamino)methyl)urea hydrochloride, Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride, 1-(4-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea hydrochloride, 1-(4-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea,hydrochloride, N-(4-Cyanophenyl)-N'-(N'-methylcarbamimidoyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C10H12ClN5O |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.04608 |
| Topological Polar Surface Area | 103.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.07304 |
| Heavy Atoms | 17 |
| Complexity | 448.75922 |
Chemical Identifiers
| CAS Number | 68656-48-4 |
|---|---|
| SMILES | CN=C(N)NC(=O)NC1=CC=C(C=C1)C#N.Cl |
Product Overview
Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride (CAS 68656-48-4), with molecular formula C10H12ClN5O and molecular weight 253.07 g/mol. IUPAC: 1-(4-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride
Property Insights of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride
The XLogP value of 1.04608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride. The TPSA of 103.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride has 3 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 Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride?
The CAS number of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride is 68656-48-4.
What is the molecular formula of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride?
The molecular formula of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride is C10H12ClN5O.
What is the molecular weight of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride?
The molecular weight of Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride is 253.07 g/mol.
Where can I buy Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride?
You can request a quote for Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, 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-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(4-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.