1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine
TL;DR: 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine (CAS 54431-67-3) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1-phenylethyl)azetidin-3-yl]guanidine
Also Known As: NIOSH/MF3685800, AZ 68, [1-(1-phenyl-ethyl)-azetidin-3-yl]-guanidine, 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine, 2-[1-(1-phenylethyl)azetidin-3-yl]guanidine
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 0.7052 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 363.86496 |
Chemical Identifiers
| CAS Number | 54431-67-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2CC(C2)N=C(N)N |
Product Overview
1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine (CAS 54431-67-3), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: 2-[1-(1-phenylethyl)azetidin-3-yl]guanidine.
Chemical Property Profile of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine
Property Insights of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine
The XLogP value of 0.7052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine. Following Lipinski's Rule of Five, 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)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 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine?
The CAS number of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine is 54431-67-3.
What is the molecular formula of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine?
The molecular formula of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine is C12H18N4.
What is the molecular weight of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine?
The molecular weight of 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine is 218.15 g/mol.
Where can I buy 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine?
You can request a quote for 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(alpha-Methylbenzyl)-3-azetidinyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.