N-(2-Phenylethoxy)guanidine
TL;DR: N-(2-Phenylethoxy)guanidine (CAS 1885-50-3) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethoxy)guanidine
Also Known As: 2-phenethyloxyguanidine, N-(2-Phenylethoxy)guanidine, 2-(2-phenylethoxy)guanidine, Guanidine, N-(2-phenylethoxy)-
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1885-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCON=C(N)N |
| InChIKey | MLSJJRRHUXHWBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Phenylethoxy)guanidine (CAS 1885-50-3), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 2-(2-phenylethoxy)guanidine.
Chemical Property Profile of N-(2-Phenylethoxy)guanidine
Property Insights of N-(2-Phenylethoxy)guanidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Phenylethoxy)guanidine. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Phenylethoxy)guanidine. Following Lipinski's Rule of Five, N-(2-Phenylethoxy)guanidine 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-(2-Phenylethoxy)guanidine?
The CAS number of N-(2-Phenylethoxy)guanidine is 1885-50-3.
What is the molecular formula of N-(2-Phenylethoxy)guanidine?
The molecular formula of N-(2-Phenylethoxy)guanidine is C9H13N3O.
What is the molecular weight of N-(2-Phenylethoxy)guanidine?
The molecular weight of N-(2-Phenylethoxy)guanidine is 179.11 g/mol.
Where can I buy N-(2-Phenylethoxy)guanidine?
You can request a quote for N-(2-Phenylethoxy)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Phenylethoxy)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Phenylethoxy)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.