Ent 25788
TL;DR: Ent 25788 (CAS 3954-73-2) is a chemical compound with molecular formula C12H14ClF3NO4PS and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane
Also Known As: Monsanto CP-40296, CELA K 159, ENT 25788, ENT 25,788, CP 40296
| Molecular Formula | C12H14ClF3NO4PS |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.00217 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 3954-73-2 |
|---|---|
| SMILES | CP(=S)(OCCCCCl)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | RMCKJMQDQHLYFV-UHFFFAOYSA-N |
Product Overview
Ent 25788 (CAS 3954-73-2), with molecular formula C12H14ClF3NO4PS and molecular weight 391.00 g/mol. IUPAC: 4-chlorobutoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Ent 25788
Property Insights of Ent 25788
The XLogP value of 5.0 indicates that Ent 25788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ent 25788. Following Lipinski's Rule of Five, Ent 25788 has 0 hydrogen bond donor(s) and 8 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 Ent 25788?
The CAS number of Ent 25788 is 3954-73-2.
What is the molecular formula of Ent 25788?
The molecular formula of Ent 25788 is C12H14ClF3NO4PS.
What is the molecular weight of Ent 25788?
The molecular weight of Ent 25788 is 391.00 g/mol.
Where can I buy Ent 25788?
You can request a quote for Ent 25788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ent 25788?
Yes, KEHONG BIO provides custom synthesis services for Ent 25788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.