1-(4-(Trifluoromethyl)phenyl)biguanide
TL;DR: 1-(4-(Trifluoromethyl)phenyl)biguanide (CAS 3796-35-8) is a chemical compound with molecular formula C9H10F3N5 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine
Also Known As: 1-(4-(TRIFLUOROMETHYL)PHENYL)BIGUANIDE, 1-(4- BIGUANIDE, (p-Trifluoromethylphenyl)biguanide, 1-(p-Trifluoromethylphenyl)biguanide, 1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine
| Molecular Formula | C9H10F3N5 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 0.925 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.08884 |
| Heavy Atoms | 17 |
| Complexity | 442.69427 |
Chemical Identifiers
| CAS Number | 3796-35-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)N=C(N)N=C(N)N |
Product Overview
1-(4-(Trifluoromethyl)phenyl)biguanide (CAS 3796-35-8), with molecular formula C9H10F3N5 and molecular weight 245.09 g/mol. IUPAC: 1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine.
Chemical Property Profile of 1-(4-(Trifluoromethyl)phenyl)biguanide
Property Insights of 1-(4-(Trifluoromethyl)phenyl)biguanide
The XLogP value of 0.925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Trifluoromethyl)phenyl)biguanide. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(Trifluoromethyl)phenyl)biguanide. Following Lipinski's Rule of Five, 1-(4-(Trifluoromethyl)phenyl)biguanide has 3 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-(4-(Trifluoromethyl)phenyl)biguanide?
The CAS number of 1-(4-(Trifluoromethyl)phenyl)biguanide is 3796-35-8.
What is the molecular formula of 1-(4-(Trifluoromethyl)phenyl)biguanide?
The molecular formula of 1-(4-(Trifluoromethyl)phenyl)biguanide is C9H10F3N5.
What is the molecular weight of 1-(4-(Trifluoromethyl)phenyl)biguanide?
The molecular weight of 1-(4-(Trifluoromethyl)phenyl)biguanide is 245.09 g/mol.
Where can I buy 1-(4-(Trifluoromethyl)phenyl)biguanide?
You can request a quote for 1-(4-(Trifluoromethyl)phenyl)biguanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Trifluoromethyl)phenyl)biguanide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Trifluoromethyl)phenyl)biguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.