J3.142.949H
TL;DR: J3.142.949H (CAS 488135-13-3) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: J3.142.949H, 3-[3-(1,3-Benzodioxole-5-ylmethyl)-4-oxo-2-thioxothiazolidine-5-ylidenemethyl]-2-(ethylamino)-4H-pyrido[1,2-a]pyrimidine-4-one, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-5-{[2-(ethylamino)-4-oxo(5-hydropyr idino[1,2-a]pyrimidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 3.2564 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1351.5005 |
Chemical Identifiers
| CAS Number | 488135-13-3 |
|---|---|
| SMILES | CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
J3.142.949H (CAS 488135-13-3), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of J3.142.949H
Property Insights of J3.142.949H
The XLogP value of 3.2564 indicates that J3.142.949H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.142.949H. Following Lipinski's Rule of Five, J3.142.949H has 1 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 J3.142.949H?
The CAS number of J3.142.949H is 488135-13-3.
What is the molecular formula of J3.142.949H?
The molecular formula of J3.142.949H is C22H18N4O4S2.
What is the molecular weight of J3.142.949H?
The molecular weight of J3.142.949H is 466.08 g/mol.
Where can I buy J3.142.949H?
You can request a quote for J3.142.949H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.142.949H?
Yes, KEHONG BIO provides custom synthesis services for J3.142.949H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.