BAS 10018035
TL;DR: BAS 10018035 (CAS 623130-06-3) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: BAS 10018035, 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione, 4-(1,3-benzodioxol-5-ylcarbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonyl)-1-[3-(dimethylamino)propyl]-3-hyd roxy-5-(4-pyridyl)-3-pyrrolin-2-one
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.1837 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1003.0875 |
Chemical Identifiers
| CAS Number | 623130-06-3 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=CC=NC=C4 |
Product Overview
BAS 10018035 (CAS 623130-06-3), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 10018035
Property Insights of BAS 10018035
The XLogP value of 2.1837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10018035. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10018035. Following Lipinski's Rule of Five, BAS 10018035 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 10018035?
The CAS number of BAS 10018035 is 623130-06-3.
What is the molecular formula of BAS 10018035?
The molecular formula of BAS 10018035 is C22H23N3O5.
What is the molecular weight of BAS 10018035?
The molecular weight of BAS 10018035 is 409.16 g/mol.
Where can I buy BAS 10018035?
You can request a quote for BAS 10018035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10018035?
Yes, KEHONG BIO provides custom synthesis services for BAS 10018035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.