3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis
TL;DR: 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis (CAS 36865-54-0) is a chemical compound with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
Also Known As: 3,5-DI-CF3-C6H3NHN=C(CN)COOME-CIS, J1.584.646A, (Z)-(methyl {2-[3,5-bis(trifluoromethyl)phenyl]hydrazin-1-ylidene}(cyano)formate), Cyano[(E)-2-[3,5-bis(trifluoromethyl)phenyl]hydrazono]acetic acid methyl ester, Cyano[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]hydrazono]acetic acid methyl ester
| Molecular Formula | C12H7F6N3O2 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 3.18868 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.04425 |
| Heavy Atoms | 23 |
| Complexity | 640.5943 |
Chemical Identifiers
| CAS Number | 36865-54-0 |
|---|---|
| SMILES | COC(=O)/C(=N\NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C#N |
Product Overview
3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis (CAS 36865-54-0), with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol. IUPAC: methyl (2Z)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate.
Chemical Property Profile of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis
Property Insights of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis
The XLogP value of 3.18868 indicates that 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis. Following Lipinski's Rule of Five, 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis has 1 hydrogen bond donor(s) and 5 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 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis?
The CAS number of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis is 36865-54-0.
What is the molecular formula of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis?
The molecular formula of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis is C12H7F6N3O2.
What is the molecular weight of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis?
The molecular weight of 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis is 339.04 g/mol.
Where can I buy 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis?
You can request a quote for 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis?
Yes, KEHONG BIO provides custom synthesis services for 3,5-DI-CF3-C6H3Nhn=C(CN)coome-cis and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.