2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate
TL;DR: 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate (CAS 769150-39-2) is a chemical compound with molecular formula C22H14BrClN2O5 and molecular weight 499.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate
Also Known As: 2-(2-(1,3-BENZODIOXOL-5-YLCARBONYL)CARBOHYDRAZONOYL)-4-BR-PH 2-CHLOROBENZOATE, [2-[(benzo[1,3]dioxole-5-carbonylhydrazinylidene)methyl]-4-bromo-phenyl] 2-chlorobenzoate, 644-193-5, RefChem:452376
| Molecular Formula | C22H14BrClN2O5 |
|---|---|
| Molecular Weight | 499.98 g/mol |
| LogP | 4.8143 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.97745 |
| Heavy Atoms | 31 |
| Complexity | 1198.2688 |
Chemical Identifiers
| CAS Number | 769150-39-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl |
Product Overview
2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate (CAS 769150-39-2), with molecular formula C22H14BrClN2O5 and molecular weight 499.98 g/mol. IUPAC: [2-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4-bromophenyl] 2-chlorobenzoate.
Chemical Property Profile of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate
Property Insights of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate
The XLogP value of 4.8143 indicates that 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate has 1 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 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate?
The CAS number of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate is 769150-39-2.
What is the molecular formula of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate?
The molecular formula of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate is C22H14BrClN2O5.
What is the molecular weight of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate?
The molecular weight of 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate is 499.98 g/mol.
Where can I buy 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate?
You can request a quote for 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1,3-Benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-4-BR-PH 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.