Phenyl-ethylguanidine
TL;DR: Phenyl-ethylguanidine (CAS 746539-58-2) is a chemical compound with molecular formula C9H13N3 and molecular weight 163.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-1-phenylguanidine
Also Known As: phenyl-ethylguanidine, 1-ethyl-1-phenylguanidine, 1-ethyl-1-phenyl-guanidine, Guanidine, N-ethyl-N-phenyl- (9CI)
| Molecular Formula | C9H13N3 |
|---|---|
| Molecular Weight | 163.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.11095 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 746539-58-2 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=N)N |
| InChIKey | XMHOJBPBXZZPBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl-ethylguanidine (CAS 746539-58-2), with molecular formula C9H13N3 and molecular weight 163.11 g/mol. IUPAC: 1-ethyl-1-phenylguanidine.
Chemical Property Profile of Phenyl-ethylguanidine
Property Insights of Phenyl-ethylguanidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-ethylguanidine. With a topological polar surface area (TPSA) of 53.1 Ų, Phenyl-ethylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-ethylguanidine has 2 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 Phenyl-ethylguanidine?
The CAS number of Phenyl-ethylguanidine is 746539-58-2.
What is the molecular formula of Phenyl-ethylguanidine?
The molecular formula of Phenyl-ethylguanidine is C9H13N3.
What is the molecular weight of Phenyl-ethylguanidine?
The molecular weight of Phenyl-ethylguanidine is 163.11 g/mol.
Where can I buy Phenyl-ethylguanidine?
You can request a quote for Phenyl-ethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-ethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-ethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.