3-(4(5)-Imidazolyl)propylguanidine
TL;DR: 3-(4(5)-Imidazolyl)propylguanidine (CAS 46129-28-6) is a chemical compound with molecular formula C7H13N5 and molecular weight 167.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-imidazol-5-yl)propyl]guanidine
Also Known As: Skf 91486, 3-(4(5)-Imidazolyl)propylguanidine, trans-4-acetoxy-L-proline, 3-(1H-imidazol-4-yl)propylguanidine, 2-[3-(1H-imidazol-5-yl)propyl]guanidine
| Molecular Formula | C7H13N5 |
|---|---|
| Molecular Weight | 167.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.1171 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 46129-28-6 |
|---|---|
| SMILES | C1=C(NC=N1)CCCN=C(N)N |
| InChIKey | VKPJPAPCRZIUMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4(5)-Imidazolyl)propylguanidine (CAS 46129-28-6), with molecular formula C7H13N5 and molecular weight 167.12 g/mol. IUPAC: 2-[3-(1H-imidazol-5-yl)propyl]guanidine.
Chemical Property Profile of 3-(4(5)-Imidazolyl)propylguanidine
Property Insights of 3-(4(5)-Imidazolyl)propylguanidine
The XLogP value of -0.8 indicates that 3-(4(5)-Imidazolyl)propylguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4(5)-Imidazolyl)propylguanidine. Following Lipinski's Rule of Five, 3-(4(5)-Imidazolyl)propylguanidine 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 3-(4(5)-Imidazolyl)propylguanidine?
The CAS number of 3-(4(5)-Imidazolyl)propylguanidine is 46129-28-6.
What is the molecular formula of 3-(4(5)-Imidazolyl)propylguanidine?
The molecular formula of 3-(4(5)-Imidazolyl)propylguanidine is C7H13N5.
What is the molecular weight of 3-(4(5)-Imidazolyl)propylguanidine?
The molecular weight of 3-(4(5)-Imidazolyl)propylguanidine is 167.12 g/mol.
Where can I buy 3-(4(5)-Imidazolyl)propylguanidine?
You can request a quote for 3-(4(5)-Imidazolyl)propylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4(5)-Imidazolyl)propylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4(5)-Imidazolyl)propylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.