RefChem:1069457
TL;DR: RefChem:1069457 (CAS 156338-79-3) is a chemical compound with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methylphenyl)-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((4-(dimethylamino)phenyl)methylene)-1-(2-methylphenyl)-3-(2-pyridinyl)-2-thioxo-, (5E)-5-[(4-dimethylaminophenyl)methylidene]-1-(2-methylphenyl)-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, RefChem:1069457
| Molecular Formula | C25H22N4O2S |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.20432 |
| Topological Polar Surface Area | 56.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.14636 |
| Heavy Atoms | 32 |
| Complexity | 1220.204 |
Chemical Identifiers
| CAS Number | 156338-79-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C(=O)N(C2=S)C4=CC=CC=N4 |
Product Overview
RefChem:1069457 (CAS 156338-79-3), with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol. IUPAC: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methylphenyl)-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069457
Property Insights of RefChem:1069457
The XLogP value of 4.20432 indicates that RefChem:1069457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.75 Ų, RefChem:1069457 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069457 has 0 hydrogen bond donor(s) and 5 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:1069457?
The CAS number of RefChem:1069457 is 156338-79-3.
What is the molecular formula of RefChem:1069457?
The molecular formula of RefChem:1069457 is C25H22N4O2S.
What is the molecular weight of RefChem:1069457?
The molecular weight of RefChem:1069457 is 442.15 g/mol.
Where can I buy RefChem:1069457?
You can request a quote for RefChem:1069457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069457?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.