N-Ethyl-N'-phenylguanidine
TL;DR: N-Ethyl-N'-phenylguanidine (CAS 17853-20-2) 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.
2-ethyl-1-phenylguanidine
Also Known As: N-Ethyl-N'-phenylguanidine, 2-ethyl-1-phenylguanidine, 1-ethyl-3-phenyl-guanidine, 2-ethyl-1-phenyl-guanidine, NCIOpen2_001170
| Molecular Formula | C9H13N3 |
|---|---|
| Molecular Weight | 163.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.11095 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 17853-20-2 |
|---|---|
| SMILES | CCN=C(N)NC1=CC=CC=C1 |
| InChIKey | ZZNNICXGSFSHCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-N'-phenylguanidine (CAS 17853-20-2), with molecular formula C9H13N3 and molecular weight 163.11 g/mol. IUPAC: 2-ethyl-1-phenylguanidine.
Chemical Property Profile of N-Ethyl-N'-phenylguanidine
Property Insights of N-Ethyl-N'-phenylguanidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N'-phenylguanidine. With a topological polar surface area (TPSA) of 50.4 Ų, N-Ethyl-N'-phenylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-N'-phenylguanidine 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 N-Ethyl-N'-phenylguanidine?
The CAS number of N-Ethyl-N'-phenylguanidine is 17853-20-2.
What is the molecular formula of N-Ethyl-N'-phenylguanidine?
The molecular formula of N-Ethyl-N'-phenylguanidine is C9H13N3.
What is the molecular weight of N-Ethyl-N'-phenylguanidine?
The molecular weight of N-Ethyl-N'-phenylguanidine is 163.11 g/mol.
Where can I buy N-Ethyl-N'-phenylguanidine?
You can request a quote for N-Ethyl-N'-phenylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N'-phenylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N'-phenylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.