Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate
TL;DR: Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate (CAS 71198-40-8) is a chemical compound with molecular formula C9H8F6N4O3 and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]guanidine;nitric acid
Also Known As: Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate, 2-[3,5-bis(trifluoromethyl)phenyl]guanidine,nitric acid, Guanidine,(3,5-bis(trifluoromethyl)phenyl)-,mononitrate, 2-[3,5-bis(trifluoromethyl)phenyl]guanidine; nitric acid, (3,5-BIS(TRIFLUOROMETHYL)PHENYL)GUANIDINE MONONITRATE
| Molecular Formula | C9H8F6N4O3 |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 2.2814 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.05005 |
| Heavy Atoms | 22 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 71198-40-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=C(N)N)C(F)(F)F.[N+](=O)(O)[O-] |
| InChIKey | PNRNPEQPXZCMAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate (CAS 71198-40-8), with molecular formula C9H8F6N4O3 and molecular weight 334.05 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]guanidine;nitric acid.
Chemical Property Profile of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate
Property Insights of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate
The XLogP value of 2.2814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate. Following Lipinski's Rule of Five, Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate has 3 hydrogen bond donor(s) and 10 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 Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate?
The CAS number of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate is 71198-40-8.
What is the molecular formula of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate?
The molecular formula of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate is C9H8F6N4O3.
What is the molecular weight of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate?
The molecular weight of Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate is 334.05 g/mol.
Where can I buy Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate?
You can request a quote for Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, (3,5-bis(trifluoromethyl)phenyl)-, mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.