Pyrrophenone
TL;DR: Pyrrophenone (CAS 341973-06-6) is a chemical compound with molecular formula C49H37F2N3O5S2 and molecular weight 849.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-tritylsulfanylpyrrolidin-2-yl]methyl]-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
Also Known As: Pyrrophenone, J1.509.019G, N-[[(2S,4R)-1-[2-(2,4-Difluorobenzoyl)benzoyl]-4-tritylsulfanylpyrrolidin-2-yl]methyl]-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide, 2,4-Difluoro-2 -[[(2S)-2alpha-[4-(2,4-dioxothiazolidine-5-ylidenemethyl)benzoylaminomethyl]-4beta-(tritylthio)pyrrolidine-1-yl]carbonyl]benzophenone, N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-tritylsulfanyl-pyrrolidin-2-yl]methyl]-4-[(E)-(2,4-dioxothiazolidin-5-ylidene)methyl]benzamide
| Molecular Formula | C49H37F2N3O5S2 |
|---|---|
| Molecular Weight | 849.21 g/mol |
| LogP | 9.2581 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 849.2143 |
| Heavy Atoms | 61 |
| Complexity | 2566.055 |
Chemical Identifiers
| CAS Number | 341973-06-6 |
|---|---|
| SMILES | C1[C@H](CN([C@@H]1CNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)SC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8 |
Product Overview
Pyrrophenone (CAS 341973-06-6), with molecular formula C49H37F2N3O5S2 and molecular weight 849.21 g/mol. IUPAC: N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-tritylsulfanylpyrrolidin-2-yl]methyl]-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide.
Chemical Property Profile of Pyrrophenone
Property Insights of Pyrrophenone
The XLogP value of 9.2581 indicates that Pyrrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrophenone. Following Lipinski's Rule of Five, Pyrrophenone has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrophenone?
The CAS number of Pyrrophenone is 341973-06-6.
What is the molecular formula of Pyrrophenone?
The molecular formula of Pyrrophenone is C49H37F2N3O5S2.
What is the molecular weight of Pyrrophenone?
The molecular weight of Pyrrophenone is 849.21 g/mol.
Where can I buy Pyrrophenone?
You can request a quote for Pyrrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrophenone?
Yes, KEHONG BIO provides custom synthesis services for Pyrrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.