4M-908
TL;DR: 4M-908 (CAS 338748-62-2) is a chemical compound with molecular formula C21H19F6N3O4 and molecular weight 491.13 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 3-(trifluoromethyl)benzoate
Also Known As: 4M-908, 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 3-(trifluoromethyl)benzoate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethyl 3-(trifluoromethyl)benzenecarboxylate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3-(trifluoromethyl)benzoate, 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl3-(trifluoromethyl)benzoate
| Molecular Formula | C21H19F6N3O4 |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 4.6114 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.12796 |
| Heavy Atoms | 34 |
| Complexity | 1049.5348 |
Chemical Identifiers
| CAS Number | 338748-62-2 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4M-908 (CAS 338748-62-2), with molecular formula C21H19F6N3O4 and molecular weight 491.13 g/mol. IUPAC: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 4M-908
Property Insights of 4M-908
The XLogP value of 4.6114 indicates that 4M-908 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-908. Following Lipinski's Rule of Five, 4M-908 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-908?
The CAS number of 4M-908 is 338748-62-2.
What is the molecular formula of 4M-908?
The molecular formula of 4M-908 is C21H19F6N3O4.
What is the molecular weight of 4M-908?
The molecular weight of 4M-908 is 491.13 g/mol.
Where can I buy 4M-908?
You can request a quote for 4M-908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4M-908?
Yes, KEHONG BIO provides custom synthesis services for 4M-908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.