3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
TL;DR: 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769150-98-3) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Also Known As: 3-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE, [3-[(cyclohexylthiocarbamoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate, 644-028-7, RefChem:490287
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 4.6899 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 848.98413 |
Chemical Identifiers
| CAS Number | 769150-98-3 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769150-98-3), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: [3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Property Insights of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
The XLogP value of 4.6899 indicates that 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate has 2 hydrogen bond donor(s) and 4 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 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The CAS number of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 769150-98-3.
What is the molecular formula of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular formula of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is C21H22ClN3O2S.
What is the molecular weight of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular weight of 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 415.11 g/mol.
Where can I buy 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
You can request a quote for 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((Cyclohexylamino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.