1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate
TL;DR: 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate (CAS 769153-91-5) is a chemical compound with molecular formula C26H20ClN3O2S and molecular weight 473.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Also Known As: 1-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE, [1-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate, 650-299-2, RefChem:420792
| Molecular Formula | C26H20ClN3O2S |
|---|---|
| Molecular Weight | 473.10 g/mol |
| LogP | 6.34132 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.09647 |
| Heavy Atoms | 33 |
| Complexity | 1353.5144 |
Chemical Identifiers
| CAS Number | 769153-91-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4=CC(=CC=C4)Cl |
Product Overview
1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate (CAS 769153-91-5), with molecular formula C26H20ClN3O2S and molecular weight 473.10 g/mol. IUPAC: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate.
Chemical Property Profile of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate
Property Insights of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate
The XLogP value of 6.34132 indicates that 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate 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 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate. Following Lipinski's Rule of Five, 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate?
The CAS number of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate is 769153-91-5.
What is the molecular formula of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate?
The molecular formula of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate is C26H20ClN3O2S.
What is the molecular weight of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate?
The molecular weight of 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate is 473.10 g/mol.
Where can I buy 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate?
You can request a quote for 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.