RefChem:447291
TL;DR: RefChem:447291 (CAS 618076-83-8) 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)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: SALOR-INT L430293-1EA, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one, (Z)-5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-8-methyl-4-oxo-1,4a-diaza-4H-naphth-3-yl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 3.17472 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1382.3389 |
Chemical Identifiers
| CAS Number | 618076-83-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
RefChem:447291 (CAS 618076-83-8), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: (5Z)-5-[[2-(1,3-benzodioxol-5-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:447291
Property Insights of RefChem:447291
The XLogP value of 3.17472 indicates that RefChem:447291 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 RefChem:447291. Following Lipinski's Rule of Five, RefChem:447291 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 RefChem:447291?
The CAS number of RefChem:447291 is 618076-83-8.
What is the molecular formula of RefChem:447291?
The molecular formula of RefChem:447291 is C22H18N4O4S2.
What is the molecular weight of RefChem:447291?
The molecular weight of RefChem:447291 is 466.08 g/mol.
Where can I buy RefChem:447291?
You can request a quote for RefChem:447291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:447291?
Yes, KEHONG BIO provides custom synthesis services for RefChem:447291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.