9M-521S
TL;DR: 9M-521S (CAS 7243-17-6) is a chemical compound with molecular formula C12H7F3N2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[3-(trifluoromethyl)phenyl]ethylidene]propanedinitrile
Also Known As: 2-{1-[3-(trifluoromethyl)phenyl]ethylidene}malononitrile, 2-[1-[3-(trifluoromethyl)phenyl]ethylidene]propanedinitrile, 2-{1-[3-(trifluoromethyl)phenyl]ethylidene}propanedinitrile, 2-{1-3-(Trifluoromethyl)phenylethylidene}malononitrile, {1-[3-(Trifluoromethyl)phenyl]ethylidene}propanedinitrile
| Molecular Formula | C12H7F3N2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.52606 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.05614 |
| Heavy Atoms | 17 |
| Complexity | 526.0948 |
Chemical Identifiers
| CAS Number | 7243-17-6 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC(=CC=C1)C(F)(F)F |
Product Overview
9M-521S (CAS 7243-17-6), with molecular formula C12H7F3N2 and molecular weight 236.06 g/mol. IUPAC: 2-[1-[3-(trifluoromethyl)phenyl]ethylidene]propanedinitrile.
Chemical Property Profile of 9M-521S
Property Insights of 9M-521S
The XLogP value of 3.52606 indicates that 9M-521S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 9M-521S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9M-521S has 0 hydrogen bond donor(s) and 2 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 9M-521S?
The CAS number of 9M-521S is 7243-17-6.
What is the molecular formula of 9M-521S?
The molecular formula of 9M-521S is C12H7F3N2.
What is the molecular weight of 9M-521S?
The molecular weight of 9M-521S is 236.06 g/mol.
Where can I buy 9M-521S?
You can request a quote for 9M-521S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9M-521S?
Yes, KEHONG BIO provides custom synthesis services for 9M-521S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.