RefChem:1069452
TL;DR: RefChem:1069452 (CAS 139356-85-7) is a chemical compound with molecular formula C29H23N3O4S2 and molecular weight 541.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-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-((3,4-dimethoxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione, RefChem:1069452, BRN 5367613
| Molecular Formula | C29H23N3O4S2 |
|---|---|
| Molecular Weight | 541.11 g/mol |
| LogP | 5.88402 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.113 |
| Heavy Atoms | 38 |
| Complexity | 1579.7064 |
Chemical Identifiers
| CAS Number | 139356-85-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC(=C(C=C3)OC)OC)/C(=O)N(C2=S)C4=NC(=CS4)C5=CC=CC=C5 |
Product Overview
RefChem:1069452 (CAS 139356-85-7), with molecular formula C29H23N3O4S2 and molecular weight 541.11 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069452
Property Insights of RefChem:1069452
The XLogP value of 5.88402 indicates that RefChem:1069452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069452. Following Lipinski's Rule of Five, RefChem:1069452 has 0 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:1069452?
The CAS number of RefChem:1069452 is 139356-85-7.
What is the molecular formula of RefChem:1069452?
The molecular formula of RefChem:1069452 is C29H23N3O4S2.
What is the molecular weight of RefChem:1069452?
The molecular weight of RefChem:1069452 is 541.11 g/mol.
Where can I buy RefChem:1069452?
You can request a quote for RefChem:1069452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.