ChemDiv1_006279
TL;DR: ChemDiv1_006279 (CAS 361993-89-7) is a chemical compound with molecular formula C28H31N5O3S2 and molecular weight 549.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_006279, 2-(4-benzylpiperazin-1-yl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(3-methoxypropyl)-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[2-(4-BENZYLPIPERAZIN-1-YL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(3-METHOXYPROPYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C28H31N5O3S2 |
|---|---|
| Molecular Weight | 549.19 g/mol |
| LogP | 3.56282 |
| Topological Polar Surface Area | 70.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.1868 |
| Heavy Atoms | 38 |
| Complexity | 1431.6699 |
Chemical Identifiers
| CAS Number | 361993-89-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_006279 (CAS 361993-89-7), with molecular formula C28H31N5O3S2 and molecular weight 549.19 g/mol. IUPAC: (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_006279
Property Insights of ChemDiv1_006279
The XLogP value of 3.56282 indicates that ChemDiv1_006279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006279. Following Lipinski's Rule of Five, ChemDiv1_006279 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006279?
The CAS number of ChemDiv1_006279 is 361993-89-7.
What is the molecular formula of ChemDiv1_006279?
The molecular formula of ChemDiv1_006279 is C28H31N5O3S2.
What is the molecular weight of ChemDiv1_006279?
The molecular weight of ChemDiv1_006279 is 549.19 g/mol.
Where can I buy ChemDiv1_006279?
You can request a quote for ChemDiv1_006279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006279?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.