Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride
TL;DR: Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride (CAS 68656-50-8) is a chemical compound with molecular formula C10H11Cl2N5O and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride, Urea, N-(4-chloro-3-cyanophenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride, N-(4-Chloro-3-cyanophenyl)-N'-(imino(methylamino)methyl)-urea hydrochloride, 1-(4-chloro-3-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea hydrochloride, N-(4-Chloro-3-cyanophenyl)-N'-(N'-methylcarbamimidoyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C10H11Cl2N5O |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 1.69948 |
| Topological Polar Surface Area | 103.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.03406 |
| Heavy Atoms | 18 |
| Complexity | 509.47977 |
Chemical Identifiers
| CAS Number | 68656-50-8 |
|---|---|
| SMILES | CN=C(N)NC(=O)NC1=CC(=C(C=C1)Cl)C#N.Cl |
Product Overview
Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride (CAS 68656-50-8), with molecular formula C10H11Cl2N5O and molecular weight 287.03 g/mol. IUPAC: 1-(4-chloro-3-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride
Property Insights of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride
The XLogP value of 1.69948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride. The TPSA of 103.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride. Following Lipinski's Rule of Five, Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride 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, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride?
The CAS number of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride is 68656-50-8.
What is the molecular formula of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride?
The molecular formula of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride is C10H11Cl2N5O.
What is the molecular weight of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride?
The molecular weight of Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride is 287.03 g/mol.
Where can I buy Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride?
You can request a quote for Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(4-chloro-3-cyanophenyl)-3-methylamidino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.