A0981/0045866
TL;DR: A0981/0045866 (CAS 310875-54-8) is a chemical compound with molecular formula C22H13BrClN3O5 and molecular weight 512.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(5-bromo-2-pyridinyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: A0981/0045866, (4E)-1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, (4E)-1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, 1-(5-BROMO-2-PYRIDYL)-4-(4-CHLOROBENZOYL)-3-HYDROXY-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H13BrClN3O5 |
|---|---|
| Molecular Weight | 512.97 g/mol |
| LogP | 5.032 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.9727 |
| Heavy Atoms | 32 |
| Complexity | 1258.2336 |
Chemical Identifiers
| CAS Number | 310875-54-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2C4=NC=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
A0981/0045866 (CAS 310875-54-8), with molecular formula C22H13BrClN3O5 and molecular weight 512.97 g/mol. IUPAC: (4E)-1-(5-bromo-2-pyridinyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of A0981/0045866
Property Insights of A0981/0045866
The XLogP value of 5.032 indicates that A0981/0045866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for A0981/0045866. Following Lipinski's Rule of Five, A0981/0045866 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0981/0045866?
The CAS number of A0981/0045866 is 310875-54-8.
What is the molecular formula of A0981/0045866?
The molecular formula of A0981/0045866 is C22H13BrClN3O5.
What is the molecular weight of A0981/0045866?
The molecular weight of A0981/0045866 is 512.97 g/mol.
Where can I buy A0981/0045866?
You can request a quote for A0981/0045866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0981/0045866?
Yes, KEHONG BIO provides custom synthesis services for A0981/0045866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.