RefChem:1069461
TL;DR: RefChem:1069461 (CAS 139356-83-5) is a chemical compound with molecular formula C27H19N3O4S2 and molecular weight 513.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((4-hydroxy-3-methoxyphenyl)methylene)-1-phenyl-3-(4-phenyl-2-thiazolyl)-2-thioxo-, (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione, RefChem:1069461, BRN 5364819
| Molecular Formula | C27H19N3O4S2 |
|---|---|
| Molecular Weight | 513.08 g/mol |
| LogP | 5.2726 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.0817 |
| Heavy Atoms | 36 |
| Complexity | 1499.9647 |
Chemical Identifiers
| CAS Number | 139356-83-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)N(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CC=C5)O |
Product Overview
RefChem:1069461 (CAS 139356-83-5), with molecular formula C27H19N3O4S2 and molecular weight 513.08 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069461
Property Insights of RefChem:1069461
The XLogP value of 5.2726 indicates that RefChem:1069461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069461. Following Lipinski's Rule of Five, RefChem:1069461 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1069461?
The CAS number of RefChem:1069461 is 139356-83-5.
What is the molecular formula of RefChem:1069461?
The molecular formula of RefChem:1069461 is C27H19N3O4S2.
What is the molecular weight of RefChem:1069461?
The molecular weight of RefChem:1069461 is 513.08 g/mol.
Where can I buy RefChem:1069461?
You can request a quote for RefChem:1069461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.