UPCMLD0ENAT5967510:001
TL;DR: UPCMLD0ENAT5967510:001 (CAS 380168-14-9) is a chemical compound with molecular formula C23H19FN4O5 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5967510:001, AB00115917-01, 1-(3-(1H-imidazol-1-yl)propyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-[(4-fluorophenyl)carbonyl]-3-hydroxy-1-(3-imidazolylpropyl)-5-(3-nitrophenyl )-3-pyrrolin-2-one
| Molecular Formula | C23H19FN4O5 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 3.4424 |
| Topological Polar Surface Area | 118.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.13394 |
| Heavy Atoms | 33 |
| Complexity | 1238.0024 |
Chemical Identifiers
| CAS Number | 380168-14-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2CCCN4C=CN=C4 |
Product Overview
UPCMLD0ENAT5967510:001 (CAS 380168-14-9), with molecular formula C23H19FN4O5 and molecular weight 450.13 g/mol. IUPAC: (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5967510:001
Property Insights of UPCMLD0ENAT5967510:001
The XLogP value of 3.4424 indicates that UPCMLD0ENAT5967510:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.57 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967510:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967510:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5967510:001?
The CAS number of UPCMLD0ENAT5967510:001 is 380168-14-9.
What is the molecular formula of UPCMLD0ENAT5967510:001?
The molecular formula of UPCMLD0ENAT5967510:001 is C23H19FN4O5.
What is the molecular weight of UPCMLD0ENAT5967510:001?
The molecular weight of UPCMLD0ENAT5967510:001 is 450.13 g/mol.
Where can I buy UPCMLD0ENAT5967510:001?
You can request a quote for UPCMLD0ENAT5967510:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967510:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967510:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.