(E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide
TL;DR: (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide (CAS 577696-02-7) is a chemical compound with molecular formula C20H20BrN3O5S and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide, (E)-3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide, 3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]prop-2-enamide, (2E)-3-(4-bromophenyl)-N-({2-[(3,4,5-trimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide
| Molecular Formula | C20H20BrN3O5S |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 2.8238 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.0307 |
| Heavy Atoms | 30 |
| Complexity | 938.4094 |
Chemical Identifiers
| CAS Number | 577696-02-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Br |
Product Overview
(E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide (CAS 577696-02-7), with molecular formula C20H20BrN3O5S and molecular weight 493.03 g/mol. IUPAC: (E)-3-(4-bromophenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide
Property Insights of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide
The XLogP value of 2.8238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide. Following Lipinski's Rule of Five, (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide has 3 hydrogen bond donor(s) and 6 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 (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide?
The CAS number of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide is 577696-02-7.
What is the molecular formula of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide?
The molecular formula of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide is C20H20BrN3O5S.
What is the molecular weight of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide?
The molecular weight of (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide is 493.03 g/mol.
Where can I buy (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide?
You can request a quote for (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-bromophenyl)-N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.