5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5954-84-7) is a chemical compound with molecular formula C19H14Cl2N2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H14Cl2N2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 4.14172 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.01022 |
| Heavy Atoms | 27 |
| Complexity | 963.94446 |
Chemical Identifiers
| CAS Number | 5954-84-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OC)Cl)/C(=O)NC2=S |
Product Overview
5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5954-84-7), with molecular formula C19H14Cl2N2O3S and molecular weight 420.01 g/mol. IUPAC: (5E)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 4.14172 indicates that 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione has 1 hydrogen bond donor(s) and 4 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 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 5954-84-7.
What is the molecular formula of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C19H14Cl2N2O3S.
What is the molecular weight of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 420.01 g/mol.
Where can I buy 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-dichloro-4-methoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.