AB00114775-01
TL;DR: AB00114775-01 (CAS 381167-45-9) is a chemical compound with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AB00114775-01, 5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C24H19BrN2O3 |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 4.77442 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.05792 |
| Heavy Atoms | 30 |
| Complexity | 1140.6273 |
Chemical Identifiers
| CAS Number | 381167-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)Br)/O |
Product Overview
AB00114775-01 (CAS 381167-45-9), with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00114775-01
Property Insights of AB00114775-01
The XLogP value of 4.77442 indicates that AB00114775-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114775-01. Following Lipinski's Rule of Five, AB00114775-01 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 AB00114775-01?
The CAS number of AB00114775-01 is 381167-45-9.
What is the molecular formula of AB00114775-01?
The molecular formula of AB00114775-01 is C24H19BrN2O3.
What is the molecular weight of AB00114775-01?
The molecular weight of AB00114775-01 is 462.06 g/mol.
Where can I buy AB00114775-01?
You can request a quote for AB00114775-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114775-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114775-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.