p-Guanidiniumbenzoate
TL;DR: p-Guanidiniumbenzoate (CAS 26739-54-8) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diaminomethylideneazanium benzoate
Also Known As: Guanidinium benzoate, p-guanidiniumbenzoate, diaminomethylideneazanium benzoate
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | -2.931 |
| Topological Polar Surface Area | 117.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 280.70044 |
Chemical Identifiers
| CAS Number | 26739-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[O-].C(=[NH2+])(N)N |
Product Overview
p-Guanidiniumbenzoate (CAS 26739-54-8), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: diaminomethylideneazanium benzoate.
Chemical Property Profile of p-Guanidiniumbenzoate
Property Insights of p-Guanidiniumbenzoate
The XLogP value of -2.931 indicates that p-Guanidiniumbenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.76 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Guanidiniumbenzoate. Following Lipinski's Rule of Five, p-Guanidiniumbenzoate 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 p-Guanidiniumbenzoate?
The CAS number of p-Guanidiniumbenzoate is 26739-54-8.
What is the molecular formula of p-Guanidiniumbenzoate?
The molecular formula of p-Guanidiniumbenzoate is C8H11N3O2.
What is the molecular weight of p-Guanidiniumbenzoate?
The molecular weight of p-Guanidiniumbenzoate is 181.09 g/mol.
Where can I buy p-Guanidiniumbenzoate?
You can request a quote for p-Guanidiniumbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Guanidiniumbenzoate?
Yes, KEHONG BIO provides custom synthesis services for p-Guanidiniumbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.