N-(3-Chlorophenyl)-N'-cyanoguanidine
TL;DR: N-(3-Chlorophenyl)-N'-cyanoguanidine (CAS 53737-83-0) is a chemical compound with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1-cyanoguanidine
Also Known As: 1-(3-chlorophenyl)-2-cyanoguanidine, 2-(3-chlorophenyl)-1-cyanoguanidine, N-(3-Chlorophenyl)-N'-cyanoguanidine, N''-cyano-N-(3-chlorophenyl)guanidine, N-(3-Chlorophenyl)-N -cyanoguanidine
| Molecular Formula | C8H7ClN4 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03592 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 53737-83-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N=C(N)NC#N |
| InChIKey | SPFMUWHUTCONCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Chlorophenyl)-N'-cyanoguanidine (CAS 53737-83-0), with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol. IUPAC: 2-(3-chlorophenyl)-1-cyanoguanidine.
Chemical Property Profile of N-(3-Chlorophenyl)-N'-cyanoguanidine
Property Insights of N-(3-Chlorophenyl)-N'-cyanoguanidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chlorophenyl)-N'-cyanoguanidine. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chlorophenyl)-N'-cyanoguanidine. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-N'-cyanoguanidine has 2 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 N-(3-Chlorophenyl)-N'-cyanoguanidine?
The CAS number of N-(3-Chlorophenyl)-N'-cyanoguanidine is 53737-83-0.
What is the molecular formula of N-(3-Chlorophenyl)-N'-cyanoguanidine?
The molecular formula of N-(3-Chlorophenyl)-N'-cyanoguanidine is C8H7ClN4.
What is the molecular weight of N-(3-Chlorophenyl)-N'-cyanoguanidine?
The molecular weight of N-(3-Chlorophenyl)-N'-cyanoguanidine is 194.04 g/mol.
Where can I buy N-(3-Chlorophenyl)-N'-cyanoguanidine?
You can request a quote for N-(3-Chlorophenyl)-N'-cyanoguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-N'-cyanoguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-N'-cyanoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.