1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate
TL;DR: 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate (CAS 405905-16-0) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] (E)-3-phenylprop-2-enoate
Also Known As: F0483-0027, 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate, 1-[(1E)-[(carbamothioylamino)imino]methyl]naphthalen-2-yl (2E)-3-phenylprop-2-enoate, 1-[(E)-thiosemicarbazidoidenemethyl]-2-naphthyl (E)-cinnamate, [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] (E)-3-phenylprop-2-enoate
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 3.6257 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 1030.036 |
Chemical Identifiers
| CAS Number | 405905-16-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)N |
Product Overview
1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate (CAS 405905-16-0), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate
Property Insights of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate
The XLogP value of 3.6257 indicates that 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate. Following Lipinski's Rule of Five, 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate 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 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate?
The CAS number of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate is 405905-16-0.
What is the molecular formula of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate?
The molecular formula of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate is C21H17N3O2S.
What is the molecular weight of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate?
The molecular weight of 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate is 375.10 g/mol.
Where can I buy 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate?
You can request a quote for 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 1-((E)-(2-carbamothioylhydrazono)methyl)naphthalen-2-yl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.