RefChem:489035
TL;DR: RefChem:489035 (CAS 361996-80-7) is a chemical compound with molecular formula C21H25N5O3S2 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-methoxyethyl)-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Salor-int l248371-1ea, 3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(2-methoxyethyl)-5-((9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(2-methoxyethyl)-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(2-METHOXYETHYL)-5-{[9-METHYL-2-(4-METHYLPIPERAZIN-1-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H25N5O3S2 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 1.60232 |
| Topological Polar Surface Area | 70.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1399 |
| Heavy Atoms | 31 |
| Complexity | 1121.9309 |
Chemical Identifiers
| CAS Number | 361996-80-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCOC)N4CCN(CC4)C |
Product Overview
RefChem:489035 (CAS 361996-80-7), with molecular formula C21H25N5O3S2 and molecular weight 459.14 g/mol. IUPAC: (5Z)-3-(2-methoxyethyl)-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:489035
Property Insights of RefChem:489035
The XLogP value of 1.60232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:489035. The TPSA of 70.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:489035. Following Lipinski's Rule of Five, RefChem:489035 has 0 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 RefChem:489035?
The CAS number of RefChem:489035 is 361996-80-7.
What is the molecular formula of RefChem:489035?
The molecular formula of RefChem:489035 is C21H25N5O3S2.
What is the molecular weight of RefChem:489035?
The molecular weight of RefChem:489035 is 459.14 g/mol.
Where can I buy RefChem:489035?
You can request a quote for RefChem:489035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:489035?
Yes, KEHONG BIO provides custom synthesis services for RefChem:489035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.