1,1-Dibenzylguanidine
TL;DR: 1,1-Dibenzylguanidine (CAS 33844-21-2) is a chemical compound with molecular formula C15H17N3 and molecular weight 239.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzylguanidine
Also Known As: 1,1-dibenzylguanidine, N,N-dibenzylguanidine, KST-1B3306, J1.144.853D
| Molecular Formula | C15H17N3 |
|---|---|
| Molecular Weight | 239.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.14224 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 33844-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=N)N |
| InChIKey | MRXBEVRHPUOYNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibenzylguanidine (CAS 33844-21-2), with molecular formula C15H17N3 and molecular weight 239.14 g/mol. IUPAC: 1,1-dibenzylguanidine.
Chemical Property Profile of 1,1-Dibenzylguanidine
Property Insights of 1,1-Dibenzylguanidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dibenzylguanidine. With a topological polar surface area (TPSA) of 53.1 Ų, 1,1-Dibenzylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibenzylguanidine 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 1,1-Dibenzylguanidine?
The CAS number of 1,1-Dibenzylguanidine is 33844-21-2.
What is the molecular formula of 1,1-Dibenzylguanidine?
The molecular formula of 1,1-Dibenzylguanidine is C15H17N3.
What is the molecular weight of 1,1-Dibenzylguanidine?
The molecular weight of 1,1-Dibenzylguanidine is 239.14 g/mol.
Where can I buy 1,1-Dibenzylguanidine?
You can request a quote for 1,1-Dibenzylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibenzylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibenzylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.