4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
TL;DR: 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate (CAS 764692-62-8) is a chemical compound with molecular formula C25H24ClN3O3S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Also Known As: 4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE, [4-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate, 656-127-2, RefChem:511135
| Molecular Formula | C25H24ClN3O3S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 6.0586 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.12268 |
| Heavy Atoms | 33 |
| Complexity | 1102.6398 |
Chemical Identifiers
| CAS Number | 764692-62-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl |
Product Overview
4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate (CAS 764692-62-8), with molecular formula C25H24ClN3O3S and molecular weight 481.12 g/mol. IUPAC: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate.
Chemical Property Profile of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
Property Insights of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
The XLogP value of 6.0586 indicates that 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate 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-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate. Following Lipinski's Rule of Five, 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate 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-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The CAS number of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is 764692-62-8.
What is the molecular formula of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The molecular formula of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is C25H24ClN3O3S.
What is the molecular weight of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The molecular weight of 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is 481.12 g/mol.
Where can I buy 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
You can request a quote for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 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)phenyl 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.