cPLA2alpha Inhibitor
TL;DR: cPLA2alpha Inhibitor (CAS 337307-06-9) is a chemical compound with molecular formula C49H44F2N4O5S and molecular weight 838.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
Also Known As: cPLA2alpha Inhibitor, (E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)amino)-1-(2-(2,4-difluorobenzoyl)benzoyl)pyrrolidin-2-yl)methyl)-3-(4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)acrylamide, N-{(2S,4R)-4-(Biphenyl-2-ylmethyl-isobutyl-amino)-1-[2-(2,4-difluorobenzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-3-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenyl]acrylamide, HCl, (E)-N-(((2S,4R)-4-(([1,1'-Biphenyl]-2-ylmethyl)(isobutyl)amino)-1-(2-(2,4-difluorobenzoyl)benzoyl)pyrrolidin-2-yl)methyl)-3-(4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)phenyl)acrylamide, (E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
| Molecular Formula | C49H44F2N4O5S |
|---|---|
| Molecular Weight | 838.30 g/mol |
| LogP | 8.7576 |
| Topological Polar Surface Area | 115.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 838.30005 |
| Heavy Atoms | 61 |
| Complexity | 2524.4224 |
Chemical Identifiers
| CAS Number | 337307-06-9 |
|---|---|
| SMILES | CC(C)CN(CC1=CC=CC=C1C2=CC=CC=C2)[C@@H]3C[C@H](N(C3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)CNC(=O)/C=C/C6=CC=C(C=C6)/C=C\7/C(=O)NC(=O)S7 |
Product Overview
cPLA2alpha Inhibitor (CAS 337307-06-9), with molecular formula C49H44F2N4O5S and molecular weight 838.30 g/mol. IUPAC: (E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide.
Chemical Property Profile of cPLA2alpha Inhibitor
Property Insights of cPLA2alpha Inhibitor
The XLogP value of 8.7576 indicates that cPLA2alpha Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.89 Ų falls within the moderate polarity range, balancing permeability and solubility for cPLA2alpha Inhibitor. Following Lipinski's Rule of Five, cPLA2alpha Inhibitor 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 cPLA2alpha Inhibitor?
The CAS number of cPLA2alpha Inhibitor is 337307-06-9.
What is the molecular formula of cPLA2alpha Inhibitor?
The molecular formula of cPLA2alpha Inhibitor is C49H44F2N4O5S.
What is the molecular weight of cPLA2alpha Inhibitor?
The molecular weight of cPLA2alpha Inhibitor is 838.30 g/mol.
Where can I buy cPLA2alpha Inhibitor?
You can request a quote for cPLA2alpha Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cPLA2alpha Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for cPLA2alpha Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.