4M-916
TL;DR: 4M-916 (CAS 338748-68-8) is a chemical compound with molecular formula C20H18Cl2F3N3O4 and molecular weight 491.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2,4-dichlorobenzoate
Also Known As: 4M-916, 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2,4-dichlorobenzoate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethyl 2,4-dichlorobenzenecarboxylate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2,4-dichlorobenzoate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl2,4-dichlorobenzoate
| Molecular Formula | C20H18Cl2F3N3O4 |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 4.8994 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.06265 |
| Heavy Atoms | 32 |
| Complexity | 1012.0699 |
Chemical Identifiers
| CAS Number | 338748-68-8 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4M-916 (CAS 338748-68-8), with molecular formula C20H18Cl2F3N3O4 and molecular weight 491.06 g/mol. IUPAC: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2,4-dichlorobenzoate.
Chemical Property Profile of 4M-916
Property Insights of 4M-916
The XLogP value of 4.8994 indicates that 4M-916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4M-916. Following Lipinski's Rule of Five, 4M-916 has 0 hydrogen bond donor(s) and 6 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 4M-916?
The CAS number of 4M-916 is 338748-68-8.
What is the molecular formula of 4M-916?
The molecular formula of 4M-916 is C20H18Cl2F3N3O4.
What is the molecular weight of 4M-916?
The molecular weight of 4M-916 is 491.06 g/mol.
Where can I buy 4M-916?
You can request a quote for 4M-916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4M-916?
Yes, KEHONG BIO provides custom synthesis services for 4M-916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.