Arcaine
TL;DR: Arcaine (CAS 544-05-8) is a chemical compound with molecular formula C6H16N6 and molecular weight 172.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(diaminomethylideneamino)butyl]guanidine
Also Known As: arcaine, 1,4-Diguanidinobutane, Arcaine sulfate, Tetramethylenediguanide, Arcain
| Molecular Formula | C6H16N6 |
|---|---|
| Molecular Weight | 172.14 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14365 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 544-05-8 |
|---|---|
| SMILES | C(CCN=C(N)N)CN=C(N)N |
| InChIKey | HGMDNMBBCKDWTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arcaine (CAS 544-05-8), with molecular formula C6H16N6 and molecular weight 172.14 g/mol. IUPAC: 2-[4-(diaminomethylideneamino)butyl]guanidine.
Chemical Property Profile of Arcaine
Property Insights of Arcaine
The XLogP value of -2.2 indicates that Arcaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arcaine. Following Lipinski's Rule of Five, Arcaine has 4 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 Arcaine?
The CAS number of Arcaine is 544-05-8.
What is the molecular formula of Arcaine?
The molecular formula of Arcaine is C6H16N6.
What is the molecular weight of Arcaine?
The molecular weight of Arcaine is 172.14 g/mol.
Where can I buy Arcaine?
You can request a quote for Arcaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arcaine?
Yes, KEHONG BIO provides custom synthesis services for Arcaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.