AB00116510-01
TL;DR: AB00116510-01 (CAS 384797-00-6) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.08713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00116510-01, 2-(benzylamino)-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(benzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[2-(BENZYLAMINO)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-METHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-5-((2-(benzylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
Technical Specifications
| Molecular Formula | C21H18N4O2S2 |
| Molecular Weight | 422.08713 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08713 Da |
| Heavy Atoms | 29 |
| Complexity | 923.0 |
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C)NCC4=CC=CC=C4 |
| InChIKey | YAPVKQAETJCLJO-WJDWOHSUSA-N |
Chemical Property Profile of AB00116510-01
Property Insights of AB00116510-01
The XLogP value of 3.3 indicates that AB00116510-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116510-01. Following Lipinski's Rule of Five, AB00116510-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00116510-01?
The CAS number of AB00116510-01 is 384797-00-6.
What is the molecular formula of AB00116510-01?
The molecular formula of AB00116510-01 is C21H18N4O2S2.
What is the molecular weight of AB00116510-01?
The molecular weight of AB00116510-01 is 422.08713 g/mol.
Where can I buy AB00116510-01?
You can request a quote for AB00116510-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00116510-01?
Yes, CoreyChem provides custom synthesis services for AB00116510-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.