UPCMLD0ENAT5967427:001
TL;DR: UPCMLD0ENAT5967427:001 (CAS 371924-13-9) is a chemical compound with molecular formula C22H16N4O5 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5967427:001, 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione, (E)-(4-methylphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate, 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-(2-pyrimidinyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H16N4O5 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 3.31952 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.11206 |
| Heavy Atoms | 31 |
| Complexity | 1204.9133 |
Chemical Identifiers
| CAS Number | 371924-13-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-])/O |
Product Overview
UPCMLD0ENAT5967427:001 (CAS 371924-13-9), with molecular formula C22H16N4O5 and molecular weight 416.11 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5967427:001
Property Insights of UPCMLD0ENAT5967427:001
The XLogP value of 3.31952 indicates that UPCMLD0ENAT5967427:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967427:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967427:001 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 UPCMLD0ENAT5967427:001?
The CAS number of UPCMLD0ENAT5967427:001 is 371924-13-9.
What is the molecular formula of UPCMLD0ENAT5967427:001?
The molecular formula of UPCMLD0ENAT5967427:001 is C22H16N4O5.
What is the molecular weight of UPCMLD0ENAT5967427:001?
The molecular weight of UPCMLD0ENAT5967427:001 is 416.11 g/mol.
Where can I buy UPCMLD0ENAT5967427:001?
You can request a quote for UPCMLD0ENAT5967427:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967427:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967427:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.