BAS 06261428
TL;DR: BAS 06261428 (CAS 618074-69-4) is a chemical compound with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: BAS 06261428, 4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
| Molecular Formula | C23H18FN3O4 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.12814 |
| Heavy Atoms | 31 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 618074-69-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)O)F |
| InChIKey | VAEXITDOGVIFOR-UHFFFAOYSA-N |
Product Overview
BAS 06261428 (CAS 618074-69-4), with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol. IUPAC: 4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 06261428
Property Insights of BAS 06261428
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06261428. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06261428. Following Lipinski's Rule of Five, BAS 06261428 has 1 hydrogen bond donor(s) and 7 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 06261428?
The CAS number of BAS 06261428 is 618074-69-4.
What is the molecular formula of BAS 06261428?
The molecular formula of BAS 06261428 is C23H18FN3O4.
What is the molecular weight of BAS 06261428?
The molecular weight of BAS 06261428 is 419.13 g/mol.
Where can I buy BAS 06261428?
You can request a quote for BAS 06261428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06261428?
Yes, KEHONG BIO provides custom synthesis services for BAS 06261428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.