RefChem:1069446
TL;DR: RefChem:1069446 (CAS 79838-86-1) is a chemical compound with molecular formula C28H26N2O3S and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-methoxyphenyl)-5-((3-methylphenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-, (5E)-1-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, RefChem:1069446, BRN 4604485
| Molecular Formula | C28H26N2O3S |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 5.67718 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.1664 |
| Heavy Atoms | 34 |
| Complexity | 1336.2572 |
Chemical Identifiers
| CAS Number | 79838-86-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C/2\C(=O)N(C(=S)N(C2=O)C3=C(C=C(C=C3C)C)C)C4=CC(=CC=C4)OC |
Product Overview
RefChem:1069446 (CAS 79838-86-1), with molecular formula C28H26N2O3S and molecular weight 470.17 g/mol. IUPAC: (5E)-1-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069446
Property Insights of RefChem:1069446
The XLogP value of 5.67718 indicates that RefChem:1069446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:1069446 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069446 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1069446?
The CAS number of RefChem:1069446 is 79838-86-1.
What is the molecular formula of RefChem:1069446?
The molecular formula of RefChem:1069446 is C28H26N2O3S.
What is the molecular weight of RefChem:1069446?
The molecular weight of RefChem:1069446 is 470.17 g/mol.
Where can I buy RefChem:1069446?
You can request a quote for RefChem:1069446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069446?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.