P3DDT
TL;DR: P3DDT (CAS 137191-59-4) is a chemical compound with molecular formula C25H15FN2O5 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide
Also Known As: Poly(3-dodecyl-2,5-thiophenediyl), Poly(3-dodecylthiophene-2 5-diyl), POLY(3-DODECYLTHIOPHENE-2,5-DIYL), NCI60_013698, Poly(3-dodecylthiophene-2,5-diyl) regiorandom
| Molecular Formula | C25H15FN2O5 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0965 |
| Heavy Atoms | 33 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 137191-59-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F |
| InChIKey | ZIIWEVVIUDNLCQ-UHFFFAOYSA-N |
Product Overview
P3DDT (CAS 137191-59-4), with molecular formula C25H15FN2O5 and molecular weight 442.10 g/mol. IUPAC: N-(2-cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide.
Chemical Property Profile of P3DDT
Property Insights of P3DDT
The XLogP value of 4.1 indicates that P3DDT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for P3DDT. Following Lipinski's Rule of Five, P3DDT has 1 hydrogen bond donor(s) and 7 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 P3DDT?
The CAS number of P3DDT is 137191-59-4.
What is the molecular formula of P3DDT?
The molecular formula of P3DDT is C25H15FN2O5.
What is the molecular weight of P3DDT?
The molecular weight of P3DDT is 442.10 g/mol.
Where can I buy P3DDT?
You can request a quote for P3DDT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P3DDT?
Yes, KEHONG BIO provides custom synthesis services for P3DDT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.