Pyrrolinone inhibitor 2
TL;DR: Pyrrolinone inhibitor 2 (CAS 173240-66-9) is a chemical compound with molecular formula C43H50N4O7 and molecular weight 734.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: Pyrrolinone inhibitor 2, Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester, [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate, (2S,5 S)-2-Isobutyl-4-[(R)-1-benzyl-2-oxo-2-aminoethyl]-5 -benzyl-5 -[(2S,3S)-2-hydroxy-4-phenyl-3-[[[(tetrahydrofuran)-3beta-yl]oxycarbonyl]amino]butyl]-2,3 -bi[1H-pyrrole]-3,4 (2H,5 H)-dione, (3S)-Oxolan-3-yl {(2S,3S)-4-[(2S,5'S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-5'-benzyl-2-(2-methylpropyl)-3,4'-dioxo-2,3,4',5'-tetrahydro-1H,1'H-[2,3'-bipyrrol]-5'-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
| Molecular Formula | C43H50N4O7 |
|---|---|
| Molecular Weight | 734.37 g/mol |
| LogP | 4.0868 |
| Topological Polar Surface Area | 169.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 734.3679 |
| Heavy Atoms | 54 |
| Complexity | 1859.9935 |
Chemical Identifiers
| CAS Number | 173240-66-9 |
|---|---|
| SMILES | CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)N)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)O[C@H]6CCOC6)O |
Product Overview
Pyrrolinone inhibitor 2 (CAS 173240-66-9), with molecular formula C43H50N4O7 and molecular weight 734.37 g/mol. IUPAC: [(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of Pyrrolinone inhibitor 2
Property Insights of Pyrrolinone inhibitor 2
The XLogP value of 4.0868 indicates that Pyrrolinone inhibitor 2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.08 Ų indicates high polarity, suggesting Pyrrolinone inhibitor 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrrolinone inhibitor 2 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolinone inhibitor 2?
The CAS number of Pyrrolinone inhibitor 2 is 173240-66-9.
What is the molecular formula of Pyrrolinone inhibitor 2?
The molecular formula of Pyrrolinone inhibitor 2 is C43H50N4O7.
What is the molecular weight of Pyrrolinone inhibitor 2?
The molecular weight of Pyrrolinone inhibitor 2 is 734.37 g/mol.
Where can I buy Pyrrolinone inhibitor 2?
You can request a quote for Pyrrolinone inhibitor 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolinone inhibitor 2?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolinone inhibitor 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.