4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate
TL;DR: 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate (CAS 764692-68-4) is a chemical compound with molecular formula C26H26ClN3O4S and molecular weight 511.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
Also Known As: 4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-MEO-PH 4-BUTOXYBENZOATE, [4-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-butoxybenzoate, 656-134-0, RefChem:511125
| Molecular Formula | C26H26ClN3O4S |
|---|---|
| Molecular Weight | 511.13 g/mol |
| LogP | 6.0672 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.13327 |
| Heavy Atoms | 35 |
| Complexity | 1185.4694 |
Chemical Identifiers
| CAS Number | 764692-68-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl)OC |
Product Overview
4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate (CAS 764692-68-4), with molecular formula C26H26ClN3O4S and molecular weight 511.13 g/mol. IUPAC: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate.
Chemical Property Profile of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate
Property Insights of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate
The XLogP value of 6.0672 indicates that 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate. Following Lipinski's Rule of Five, 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate?
The CAS number of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate is 764692-68-4.
What is the molecular formula of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate?
The molecular formula of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate is C26H26ClN3O4S.
What is the molecular weight of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate?
The molecular weight of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate is 511.13 g/mol.
Where can I buy 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate?
You can request a quote for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-meo-PH 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.