Mon 0856
TL;DR: Mon 0856 (CAS 18181-26-5) is a chemical compound with molecular formula C14H9F6N3 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[N-ethyl-3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: Mon 0856, (3,5-di(alpha,alpha,alpha-Trifluoromethyl)-N-ethylanilino)methylenemalononitrile, 2-[[N-ethyl-3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile, Propanedinitrile, (((3,5-bis(trifluoromethyl)phenyl)ethylamino)methylene)-, ({[3,5-Bis(trifluoromethyl)phenyl](ethyl)amino}methylidene)propanedinitrile
| Molecular Formula | C14H9F6N3 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.48156 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.07007 |
| Heavy Atoms | 23 |
| Complexity | 640.1751 |
Chemical Identifiers
| CAS Number | 18181-26-5 |
|---|---|
| SMILES | CCN(C=C(C#N)C#N)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Mon 0856 (CAS 18181-26-5), with molecular formula C14H9F6N3 and molecular weight 333.07 g/mol. IUPAC: 2-[[N-ethyl-3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of Mon 0856
Property Insights of Mon 0856
The XLogP value of 4.48156 indicates that Mon 0856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.82 Ų, Mon 0856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mon 0856 has 0 hydrogen bond donor(s) and 3 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 Mon 0856?
The CAS number of Mon 0856 is 18181-26-5.
What is the molecular formula of Mon 0856?
The molecular formula of Mon 0856 is C14H9F6N3.
What is the molecular weight of Mon 0856?
The molecular weight of Mon 0856 is 333.07 g/mol.
Where can I buy Mon 0856?
You can request a quote for Mon 0856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mon 0856?
Yes, KEHONG BIO provides custom synthesis services for Mon 0856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.