![(2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide structure](/static/products/535/535945-77-8.png)
(2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide
TL;DR: (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide (CAS 535945-77-8) is a chemical compound with molecular formula C25H19Cl2N3O3S and molecular weight 511.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dichlorophenyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]prop-2-enamide
Also Known As: (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide, (E)-3-(2,4-dichlorophenyl)-N-((3-(5,6-dimethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)acrylamide, (E)-3-(2,4-dichlorophenyl)-N-[[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide, (E)-3-(2,4-dichlorophenyl)-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide
| Molecular Formula | C25H19Cl2N3O3S |
|---|---|
| Molecular Weight | 511.05 g/mol |
| LogP | 6.65044 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.05243 |
| Heavy Atoms | 34 |
| Complexity | 1424.5658 |
Chemical Identifiers
| CAS Number | 535945-77-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl)O |
Product Overview
(2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide (CAS 535945-77-8), with molecular formula C25H19Cl2N3O3S and molecular weight 511.05 g/mol. IUPAC: (E)-3-(2,4-dichlorophenyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide
Property Insights of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide
The XLogP value of 6.65044 indicates that (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide?
The CAS number of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide is 535945-77-8.
What is the molecular formula of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide?
The molecular formula of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide is C25H19Cl2N3O3S.
What is the molecular weight of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide?
The molecular weight of (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide is 511.05 g/mol.
Where can I buy (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide?
You can request a quote for (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2,4-dichlorophenyl)-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.