AB00115399-01
TL;DR: AB00115399-01 (CAS 378771-49-4) is a chemical compound with molecular formula C22H22BrFN2O3 and molecular weight 460.08 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-(4-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: AB00115399-01, 4-(4-bromobenzoyl)-1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione, 4-(4-bromobenzoyl)-1-(3-(dimethylamino)propyl)-5-(4-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H22BrFN2O3 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 3.9616 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.07977 |
| Heavy Atoms | 29 |
| Complexity | 939.53467 |
Chemical Identifiers
| CAS Number | 378771-49-4 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=C(C=C3)F |
Product Overview
AB00115399-01 (CAS 378771-49-4), with molecular formula C22H22BrFN2O3 and molecular weight 460.08 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00115399-01
Property Insights of AB00115399-01
The XLogP value of 3.9616 indicates that AB00115399-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115399-01. Following Lipinski's Rule of Five, AB00115399-01 has 1 hydrogen bond donor(s) and 4 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 AB00115399-01?
The CAS number of AB00115399-01 is 378771-49-4.
What is the molecular formula of AB00115399-01?
The molecular formula of AB00115399-01 is C22H22BrFN2O3.
What is the molecular weight of AB00115399-01?
The molecular weight of AB00115399-01 is 460.08 g/mol.
Where can I buy AB00115399-01?
You can request a quote for AB00115399-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115399-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115399-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.