RefChem:447794
TL;DR: RefChem:447794 (CAS 442867-67-6) is a chemical compound with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 03425083, (5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-((2-hydroxyethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one, F1260-1491, (5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H20N4O3S2 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 2.01672 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0977 |
| Heavy Atoms | 27 |
| Complexity | 1013.5692 |
Chemical Identifiers
| CAS Number | 442867-67-6 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)NCCO |
Product Overview
RefChem:447794 (CAS 442867-67-6), with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol. IUPAC: (5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:447794
Property Insights of RefChem:447794
The XLogP value of 2.01672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:447794. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:447794. Following Lipinski's Rule of Five, RefChem:447794 has 2 hydrogen bond donor(s) and 7 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:447794?
The CAS number of RefChem:447794 is 442867-67-6.
What is the molecular formula of RefChem:447794?
The molecular formula of RefChem:447794 is C18H20N4O3S2.
What is the molecular weight of RefChem:447794?
The molecular weight of RefChem:447794 is 404.10 g/mol.
Where can I buy RefChem:447794?
You can request a quote for RefChem:447794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:447794?
Yes, KEHONG BIO provides custom synthesis services for RefChem:447794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.