AB00116500-01
TL;DR: AB00116500-01 (CAS 383370-19-2) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00116500-01, 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-[(TETRAHYDRO-2-FURANYLMETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (5Z)-5-[(4-OXO-2-{[(OXOLAN-2-YL)METHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-3-(PROPAN-2-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-isopropyl-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 2.895 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1057.3627 |
Chemical Identifiers
| CAS Number | 383370-19-2 |
|---|---|
| SMILES | CC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4CCCO4)/SC1=S |
Product Overview
AB00116500-01 (CAS 383370-19-2), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00116500-01
Property Insights of AB00116500-01
The XLogP value of 2.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00116500-01. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116500-01. Following Lipinski's Rule of Five, AB00116500-01 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 AB00116500-01?
The CAS number of AB00116500-01 is 383370-19-2.
What is the molecular formula of AB00116500-01?
The molecular formula of AB00116500-01 is C20H22N4O3S2.
What is the molecular weight of AB00116500-01?
The molecular weight of AB00116500-01 is 430.11 g/mol.
Where can I buy AB00116500-01?
You can request a quote for AB00116500-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116500-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116500-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.