RefChem:1069449
TL;DR: RefChem:1069449 (CAS 79838-89-4) is a chemical compound with molecular formula C28H26N2O5S and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxy-5-methoxyphenyl)methylene)-1-(3-methoxyphenyl)-2-thioxo-3-(2,4,6-trimethylphenyl)-, (5E)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, RefChem:1069449, BRN 4615000
| Molecular Formula | C28H26N2O5S |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 5.08296 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.15625 |
| Heavy Atoms | 36 |
| Complexity | 1406.1826 |
Chemical Identifiers
| CAS Number | 79838-89-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C/C3=C(C=CC(=C3)OC)O)/C(=O)N(C2=S)C4=CC(=CC=C4)OC)C |
Product Overview
RefChem:1069449 (CAS 79838-89-4), with molecular formula C28H26N2O5S and molecular weight 502.16 g/mol. IUPAC: (5E)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069449
Property Insights of RefChem:1069449
The XLogP value of 5.08296 indicates that RefChem:1069449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069449. Following Lipinski's Rule of Five, RefChem:1069449 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1069449?
The CAS number of RefChem:1069449 is 79838-89-4.
What is the molecular formula of RefChem:1069449?
The molecular formula of RefChem:1069449 is C28H26N2O5S.
What is the molecular weight of RefChem:1069449?
The molecular weight of RefChem:1069449 is 502.16 g/mol.
Where can I buy RefChem:1069449?
You can request a quote for RefChem:1069449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.