![2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid structure](/static/products/6405/6405-96-5.webp)
2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
TL;DR: 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid (CAS 6405-96-5) is a chemical compound with molecular formula C20H14Cl2N2O5S and molecular weight 464.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
Also Known As: 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid, 2-(4-{[(5E)-1-(2,3-DICHLOROPHENYL)-4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)PROPANOIC ACID, 2-(4-{[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)propanoic acid, 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4'-[[2,6-diamino-.alpha.3-(4,6-diamino-m-tolyl)-3,5-xylyl]azo]-3,3'-dimethyl-4-biphenylyl]azo]-4-hydroxy-, disodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4'-[[2,6-diamino-3-[(2,4-diamino-5-methylphenyl)methyl]-5-methylphenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt
| Molecular Formula | C20H14Cl2N2O5S |
|---|---|
| Molecular Weight | 464.00 g/mol |
| LogP | 3.6766 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.00006 |
| Heavy Atoms | 30 |
| Complexity | 1085.1045 |
Chemical Identifiers
| CAS Number | 6405-96-5 |
|---|---|
| SMILES | CC(C(=O)O)OC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl |
Product Overview
2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid (CAS 6405-96-5), with molecular formula C20H14Cl2N2O5S and molecular weight 464.00 g/mol. IUPAC: 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid.
Chemical Property Profile of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
Property Insights of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid
The XLogP value of 3.6766 indicates that 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid. Following Lipinski's Rule of Five, 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid has 2 hydrogen bond donor(s) and 5 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 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid?
The CAS number of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid is 6405-96-5.
What is the molecular formula of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid?
The molecular formula of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid is C20H14Cl2N2O5S.
What is the molecular weight of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid?
The molecular weight of 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid is 464.00 g/mol.
Where can I buy 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid?
You can request a quote for 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.