AB00114197-01
TL;DR: AB00114197-01 (CAS 378757-87-0) is a chemical compound with molecular formula C23H22BrFN2O4 and molecular weight 488.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: AB00114197-01, AB00114197-02, 4-(4-bromobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione, 4-(4-bromobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H22BrFN2O4 |
|---|---|
| Molecular Weight | 488.07 g/mol |
| LogP | 3.3421 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.0747 |
| Heavy Atoms | 31 |
| Complexity | 1001.24146 |
Chemical Identifiers
| CAS Number | 378757-87-0 |
|---|---|
| SMILES | C1COCCN1CCN2C(/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C2=O)C4=CC=C(C=C4)F |
Product Overview
AB00114197-01 (CAS 378757-87-0), with molecular formula C23H22BrFN2O4 and molecular weight 488.07 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00114197-01
Property Insights of AB00114197-01
The XLogP value of 3.3421 indicates that AB00114197-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114197-01. Following Lipinski's Rule of Five, AB00114197-01 has 1 hydrogen bond donor(s) and 5 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 AB00114197-01?
The CAS number of AB00114197-01 is 378757-87-0.
What is the molecular formula of AB00114197-01?
The molecular formula of AB00114197-01 is C23H22BrFN2O4.
What is the molecular weight of AB00114197-01?
The molecular weight of AB00114197-01 is 488.07 g/mol.
Where can I buy AB00114197-01?
You can request a quote for AB00114197-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114197-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114197-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.