2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
TL;DR: 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE (CAS 381707-35-3) is a chemical compound with molecular formula C18H20N4O4S2 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (5E)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 2-((3-Hydroxypropyl)amino)-3-((E)-(3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one, 644-456-4, RefChem:448223
| Molecular Formula | C18H20N4O4S2 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 1.3364 |
| Topological Polar Surface Area | 96.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.0926 |
| Heavy Atoms | 28 |
| Complexity | 989.1997 |
Chemical Identifiers
| CAS Number | 381707-35-3 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)NCCCO)/SC1=S |
Product Overview
2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE (CAS 381707-35-3), with molecular formula C18H20N4O4S2 and molecular weight 420.09 g/mol. IUPAC: (5E)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Property Insights of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
The XLogP value of 1.3364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. The TPSA of 96.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. Following Lipinski's Rule of Five, 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE has 2 hydrogen bond donor(s) and 8 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 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The CAS number of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 381707-35-3.
What is the molecular formula of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The molecular formula of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is C18H20N4O4S2.
What is the molecular weight of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The molecular weight of 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 420.09 g/mol.
Where can I buy 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
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Does KEHONG BIO offer custom synthesis for 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-HYDROXYPROPYL)AMINO]-3-{(E)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.