![1-[3,5-Di(trifluoromethyl)phenyl]biguanide structure](/static/products/3606/36068-40-3.webp)
1-[3,5-Di(trifluoromethyl)phenyl]biguanide
TL;DR: 1-[3,5-Di(trifluoromethyl)phenyl]biguanide (CAS 36068-40-3) is a chemical compound with molecular formula C10H9F6N5 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
Also Known As: Maybridge1_007062, 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide, RJF 01321, 1-[3,5-di(trifluoromethyl)phenyl]biguanide, 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride
| Molecular Formula | C10H9F6N5 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 1.9438 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.0762 |
| Heavy Atoms | 21 |
| Complexity | 550.33154 |
Chemical Identifiers
| CAS Number | 36068-40-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=C(N)N=C(N)N)C(F)(F)F |
Product Overview
1-[3,5-Di(trifluoromethyl)phenyl]biguanide (CAS 36068-40-3), with molecular formula C10H9F6N5 and molecular weight 313.08 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide
Property Insights of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide
The XLogP value of 1.9438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3,5-Di(trifluoromethyl)phenyl]biguanide. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-Di(trifluoromethyl)phenyl]biguanide. Following Lipinski's Rule of Five, 1-[3,5-Di(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-[3,5-Di(trifluoromethyl)phenyl]biguanide?
The CAS number of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide is 36068-40-3.
What is the molecular formula of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide?
The molecular formula of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide is C10H9F6N5.
What is the molecular weight of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide?
The molecular weight of 1-[3,5-Di(trifluoromethyl)phenyl]biguanide is 313.08 g/mol.
Where can I buy 1-[3,5-Di(trifluoromethyl)phenyl]biguanide?
You can request a quote for 1-[3,5-Di(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-[3,5-Di(trifluoromethyl)phenyl]biguanide?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-Di(trifluoromethyl)phenyl]biguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.