![5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/1393/139356-80-2.webp)
5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 139356-80-2) is a chemical compound with molecular formula C27H20Cl2N4O2S2 and molecular weight 566.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(((2,5-dichlorophenyl)amino)methl)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-, 4,6(1H,5H)-Pyrimidinedione,5-[[(2,5-dichlorophenyl)amino]methyl]dihydro-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-, 5-[[(2,5-dichlorophenyl)amino]methyl]-1-(2-methylphenyl)-3-(4-phenyl-1 ,3-thiazol-2-yl)-2-sulfanylid
| Molecular Formula | C27H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 566.04 g/mol |
| LogP | 6.81832 |
| Topological Polar Surface Area | 65.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.04047 |
| Heavy Atoms | 37 |
| Complexity | 1509.2992 |
Chemical Identifiers
| CAS Number | 139356-80-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=NC(=CS3)C4=CC=CC=C4)CNC5=C(C=CC(=C5)Cl)Cl |
Product Overview
5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 139356-80-2), with molecular formula C27H20Cl2N4O2S2 and molecular weight 566.04 g/mol. IUPAC: 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 6.81832 indicates that 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione 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 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 139356-80-2.
What is the molecular formula of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C27H20Cl2N4O2S2.
What is the molecular weight of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 566.04 g/mol.
Where can I buy 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,5-dichloroanilino)methyl]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.