4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
TL;DR: 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate (CAS 764657-18-3) is a chemical compound with molecular formula C17H16BrN3O2S and molecular weight 405.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Also Known As: 4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE, [4-[(ethylthiocarbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate, 643-426-8, RefChem:511372
| Molecular Formula | C17H16BrN3O2S |
|---|---|
| Molecular Weight | 405.01 g/mol |
| LogP | 3.4862 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.01465 |
| Heavy Atoms | 24 |
| Complexity | 747.7558 |
Chemical Identifiers
| CAS Number | 764657-18-3 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br |
Product Overview
4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate (CAS 764657-18-3), with molecular formula C17H16BrN3O2S and molecular weight 405.01 g/mol. IUPAC: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate.
Chemical Property Profile of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
Property Insights of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
The XLogP value of 3.4862 indicates that 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate 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-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate. Following Lipinski's Rule of Five, 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate 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-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The CAS number of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is 764657-18-3.
What is the molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is C17H16BrN3O2S.
What is the molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is 405.01 g/mol.
Where can I buy 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
You can request a quote for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.