2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate
TL;DR: 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate (CAS 769152-24-1) is a chemical compound with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
Also Known As: SALOR-INT L389366-1EA, 2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE, [2-methoxy-4-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate, 649-258-1, RefChem:474312
| Molecular Formula | C23H20BrN3O3S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 5.30582 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.0409 |
| Heavy Atoms | 31 |
| Complexity | 1134.5544 |
Chemical Identifiers
| CAS Number | 769152-24-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC |
Product Overview
2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate (CAS 769152-24-1), with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol. IUPAC: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate
Property Insights of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate
The XLogP value of 5.30582 indicates that 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate 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 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate. Following Lipinski's Rule of Five, 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate 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 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate?
The CAS number of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate is 769152-24-1.
What is the molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate?
The molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate is C23H20BrN3O3S.
What is the molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate?
The molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate is 497.04 g/mol.
Where can I buy 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate?
You can request a quote for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.