AB00116654-01
TL;DR: AB00116654-01 (CAS 385388-72-7) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00116654-01, 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-benzyl-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-benzyl-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-BENZYL-5-{[9-METHYL-2-(METHYLAMINO)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.44602 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1218.5734 |
Chemical Identifiers
| CAS Number | 385388-72-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)NC |
Product Overview
AB00116654-01 (CAS 385388-72-7), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: (5Z)-3-benzyl-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00116654-01
Property Insights of AB00116654-01
The XLogP value of 3.44602 indicates that AB00116654-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116654-01. Following Lipinski's Rule of Five, AB00116654-01 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
Frequently Asked Questions
What is the CAS number of AB00116654-01?
The CAS number of AB00116654-01 is 385388-72-7.
What is the molecular formula of AB00116654-01?
The molecular formula of AB00116654-01 is C21H18N4O2S2.
What is the molecular weight of AB00116654-01?
The molecular weight of AB00116654-01 is 422.09 g/mol.
Where can I buy AB00116654-01?
You can request a quote for AB00116654-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116654-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116654-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.