BAS 01814956
TL;DR: BAS 01814956 (CAS 378222-54-9) is a chemical compound with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01814956, BIM-0010349.P001, 1-(3-(1H-imidazol-1-yl)propyl)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(3-imidazolylpropyl)-5-(4-methoxyphen yl)-3-pyrrolin-2-one
| Molecular Formula | C24H22ClN3O4 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 4.0571 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12988 |
| Heavy Atoms | 32 |
| Complexity | 1139.0022 |
Chemical Identifiers
| CAS Number | 378222-54-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCN4C=CN=C4 |
Product Overview
BAS 01814956 (CAS 378222-54-9), with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 01814956
Property Insights of BAS 01814956
The XLogP value of 4.0571 indicates that BAS 01814956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01814956. Following Lipinski's Rule of Five, BAS 01814956 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 BAS 01814956?
The CAS number of BAS 01814956 is 378222-54-9.
What is the molecular formula of BAS 01814956?
The molecular formula of BAS 01814956 is C24H22ClN3O4.
What is the molecular weight of BAS 01814956?
The molecular weight of BAS 01814956 is 451.13 g/mol.
Where can I buy BAS 01814956?
You can request a quote for BAS 01814956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01814956?
Yes, KEHONG BIO provides custom synthesis services for BAS 01814956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.