Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride
TL;DR: Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride (CAS 68656-35-9) is a chemical compound with molecular formula C9H10ClN5O and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyanophenyl)-3-(diaminomethylidene)urea;hydrochloride
Also Known As: Urea, 1-amidino-3-(p-cyanophenyl)-, hydrochloride, Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride, N-(Aminoiminomethyl)-N'-(4-cyanophenyl)urea hydrochloride, 1-(4-cyanophenyl)-3-(diaminomethylidene)urea hydrochloride, 1-(4-cyanophenyl)-3-(diaminomethylidene)urea,hydrochloride
| Molecular Formula | C9H10ClN5O |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 0.78538 |
| Topological Polar Surface Area | 117.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05739 |
| Heavy Atoms | 16 |
| Complexity | 430.20773 |
Chemical Identifiers
| CAS Number | 68656-35-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)N=C(N)N.Cl |
Product Overview
Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride (CAS 68656-35-9), with molecular formula C9H10ClN5O and molecular weight 239.06 g/mol. IUPAC: 1-(4-cyanophenyl)-3-(diaminomethylidene)urea;hydrochloride.
Chemical Property Profile of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride
Property Insights of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride
The XLogP value of 0.78538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride. The TPSA of 117.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride has 3 hydrogen bond donor(s) and 2 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-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride?
The CAS number of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride is 68656-35-9.
What is the molecular formula of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride?
The molecular formula of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride is C9H10ClN5O.
What is the molecular weight of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride?
The molecular weight of Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride is 239.06 g/mol.
Where can I buy Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride?
You can request a quote for Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, 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-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(aminoiminomethyl)-N'-(4-cyanophenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.