1-(4-Trifluoromethyl)phenylbiguanide hydrochloride
TL;DR: 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride (CAS 18960-29-7) is a chemical compound with molecular formula C9H11ClF3N5 and molecular weight 281.07 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;hydrochloride
Also Known As: 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride, 4-(TRIFLUOROMETHYL)PHENYLBIGUANIDE HYDROCHLORIDE, 1-[4-(Trifluoromethyl)phenyl]biguanide hydrochloride, 1-[(4-Trifluoromethyl)phenyl]biguanide hydrochloride, 1-(4-Trifluoromethyl)phenylbiguanide HCl
| Molecular Formula | C9H11ClF3N5 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 1.3468 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06552 |
| Heavy Atoms | 18 |
| Complexity | 448.26605 |
Chemical Identifiers
| CAS Number | 18960-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)N=C(N)N=C(N)N.Cl |
Product Overview
1-(4-Trifluoromethyl)phenylbiguanide hydrochloride (CAS 18960-29-7), with molecular formula C9H11ClF3N5 and molecular weight 281.07 g/mol. IUPAC: 1-(diaminomethylidene)-2-[4-(trifluoromethyl)phenyl]guanidine;hydrochloride.
Chemical Property Profile of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride
Property Insights of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride
The XLogP value of 1.3468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride. Following Lipinski's Rule of Five, 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride 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)phenylbiguanide hydrochloride?
The CAS number of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride is 18960-29-7.
What is the molecular formula of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride?
The molecular formula of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride is C9H11ClF3N5.
What is the molecular weight of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride?
The molecular weight of 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride is 281.07 g/mol.
Where can I buy 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride?
You can request a quote for 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride 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)phenylbiguanide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Trifluoromethyl)phenylbiguanide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.