4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
TL;DR: 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate (CAS 769151-49-7) is a chemical compound with molecular formula C25H24BrN3O3S and molecular weight 525.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Also Known As: 4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE, [4-bromo-2-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate, 649-661-2, RefChem:519404
| Molecular Formula | C25H24BrN3O3S |
|---|---|
| Molecular Weight | 525.07 g/mol |
| LogP | 6.08602 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.0722 |
| Heavy Atoms | 33 |
| Complexity | 1149.889 |
Chemical Identifiers
| CAS Number | 769151-49-7 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=CC(=C3)C |
Product Overview
4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate (CAS 769151-49-7), with molecular formula C25H24BrN3O3S and molecular weight 525.07 g/mol. IUPAC: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate.
Chemical Property Profile of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
Property Insights of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
The XLogP value of 6.08602 indicates that 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate. Following Lipinski's Rule of Five, 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate has 2 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 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate?
The CAS number of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate is 769151-49-7.
What is the molecular formula of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate?
The molecular formula of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate is C25H24BrN3O3S.
What is the molecular weight of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate?
The molecular weight of 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate is 525.07 g/mol.
Where can I buy 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate?
You can request a quote for 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate 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-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.