UPCMLD0ENAT5960223:001
TL;DR: UPCMLD0ENAT5960223:001 (CAS 381702-13-2) is a chemical compound with molecular formula C22H22BrN3O5 and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: UPCMLD0ENAT5960223:001, AB00113681-01, 4-(4-bromobenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-[(4-bromophenyl)carbonyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H22BrN3O5 |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 3.7307 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.07428 |
| Heavy Atoms | 31 |
| Complexity | 1049.3668 |
Chemical Identifiers
| CAS Number | 381702-13-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
UPCMLD0ENAT5960223:001 (CAS 381702-13-2), with molecular formula C22H22BrN3O5 and molecular weight 487.07 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of UPCMLD0ENAT5960223:001
Property Insights of UPCMLD0ENAT5960223:001
The XLogP value of 3.7307 indicates that UPCMLD0ENAT5960223:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5960223:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5960223:001 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 UPCMLD0ENAT5960223:001?
The CAS number of UPCMLD0ENAT5960223:001 is 381702-13-2.
What is the molecular formula of UPCMLD0ENAT5960223:001?
The molecular formula of UPCMLD0ENAT5960223:001 is C22H22BrN3O5.
What is the molecular weight of UPCMLD0ENAT5960223:001?
The molecular weight of UPCMLD0ENAT5960223:001 is 487.07 g/mol.
Where can I buy UPCMLD0ENAT5960223:001?
You can request a quote for UPCMLD0ENAT5960223:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5960223:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5960223:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.