4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate
TL;DR: 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate (CAS 477731-05-8) is a chemical compound with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Also Known As: SALOR-INT L237019-1EA, 4-BROMO-2-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3-PHENYLACRYLATE, [4-bromo-2-[(ethylthiocarbamoylhydrazinylidene)methyl]phenyl] 3-phenylprop-2-enoate, 647-618-2, RefChem:519282
| Molecular Formula | C19H18BrN3O2S |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 3.8858 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.0303 |
| Heavy Atoms | 26 |
| Complexity | 822.7889 |
Chemical Identifiers
| CAS Number | 477731-05-8 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate (CAS 477731-05-8), with molecular formula C19H18BrN3O2S and molecular weight 431.03 g/mol. IUPAC: [4-bromo-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate
Property Insights of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate
The XLogP value of 3.8858 indicates that 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate. Following Lipinski's Rule of Five, 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate has 2 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 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate?
The CAS number of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate is 477731-05-8.
What is the molecular formula of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate?
The molecular formula of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate is C19H18BrN3O2S.
What is the molecular weight of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate?
The molecular weight of 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate is 431.03 g/mol.
Where can I buy 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate?
You can request a quote for 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 3-phenylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.