ChemDiv1_010081
TL;DR: ChemDiv1_010081 (CAS 438244-06-5) is a chemical compound with molecular formula C24H24N4O5S2 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_010081, 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-({2-[(2-HYDROXYETHYL)AMINO]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(3,4-dimethoxyphenethyl)-5-((2-((2-hydroxyethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C24H24N4O5S2 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 2.5598 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.11884 |
| Heavy Atoms | 35 |
| Complexity | 1371.767 |
Chemical Identifiers
| CAS Number | 438244-06-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCCO)/SC2=S)OC |
Product Overview
ChemDiv1_010081 (CAS 438244-06-5), with molecular formula C24H24N4O5S2 and molecular weight 512.12 g/mol. IUPAC: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_010081
Property Insights of ChemDiv1_010081
The XLogP value of 2.5598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010081. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010081. Following Lipinski's Rule of Five, ChemDiv1_010081 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010081?
The CAS number of ChemDiv1_010081 is 438244-06-5.
What is the molecular formula of ChemDiv1_010081?
The molecular formula of ChemDiv1_010081 is C24H24N4O5S2.
What is the molecular weight of ChemDiv1_010081?
The molecular weight of ChemDiv1_010081 is 512.12 g/mol.
Where can I buy ChemDiv1_010081?
You can request a quote for ChemDiv1_010081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010081?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.