1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine
TL;DR: 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine (CAS 66088-44-6) is a chemical compound with molecular formula C8H6F5N5 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-(2,3,4,5,6-pentafluorophenyl)guanidine
Also Known As: NCIStruc1_001650, NCIStruc2_001555, NCI60_002237, 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine, Imidodicarbonimidic diamide, N-(pentafluorophenyl)-
| Molecular Formula | C8H6F5N5 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.05432 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 66088-44-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)N=C(N)N=C(N)N |
| InChIKey | ALIACFZWNBCOSI-UHFFFAOYSA-N |
Product Overview
1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine (CAS 66088-44-6), with molecular formula C8H6F5N5 and molecular weight 267.05 g/mol. IUPAC: 1-(diaminomethylidene)-2-(2,3,4,5,6-pentafluorophenyl)guanidine.
Chemical Property Profile of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine
Property Insights of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine. Following Lipinski's Rule of Five, 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine has 3 hydrogen bond donor(s) and 6 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-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine?
The CAS number of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine is 66088-44-6.
What is the molecular formula of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine?
The molecular formula of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine is C8H6F5N5.
What is the molecular weight of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine?
The molecular weight of 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine is 267.05 g/mol.
Where can I buy 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine?
You can request a quote for 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Carbamimidoyl-3-(2,3,4,5,6-pentafluorophenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.