1-Phenylbiguanide monohydrochloride
TL;DR: 1-Phenylbiguanide monohydrochloride (CAS 55-57-2) is a chemical compound with molecular formula C8H12ClN5 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-phenylguanidine;hydrochloride
Also Known As: 1-PHENYLBIGUANIDE HYDROCHLORIDE, N-Phenylimidodicarbonimidic diamide hydrochloride, phenylbiguanide, Phenylbiguanide hydrochloride, 1-Phenylbiquanide HCl
| Molecular Formula | C8H12ClN5 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 0.33 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07812 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 55-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl |
| InChIKey | FHUDRDSKZQDCBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylbiguanide monohydrochloride (CAS 55-57-2), with molecular formula C8H12ClN5 and molecular weight 213.08 g/mol. IUPAC: 1-(diaminomethylidene)-2-phenylguanidine;hydrochloride.
Chemical Property Profile of 1-Phenylbiguanide monohydrochloride
Property Insights of 1-Phenylbiguanide monohydrochloride
The XLogP value of 0.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylbiguanide monohydrochloride. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylbiguanide monohydrochloride. Following Lipinski's Rule of Five, 1-Phenylbiguanide monohydrochloride has 4 hydrogen bond donor(s) and 1 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 1-Phenylbiguanide monohydrochloride?
The CAS number of 1-Phenylbiguanide monohydrochloride is 55-57-2.
What is the molecular formula of 1-Phenylbiguanide monohydrochloride?
The molecular formula of 1-Phenylbiguanide monohydrochloride is C8H12ClN5.
What is the molecular weight of 1-Phenylbiguanide monohydrochloride?
The molecular weight of 1-Phenylbiguanide monohydrochloride is 213.08 g/mol.
Where can I buy 1-Phenylbiguanide monohydrochloride?
You can request a quote for 1-Phenylbiguanide monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylbiguanide monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylbiguanide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.