![[4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate structure](/static/products/477/477734-37-5.png)
[4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
TL;DR: [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate (CAS 477734-37-5) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
Also Known As: [4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate|[4-[(ethylthiocarbamoylhydrazinylidene)methyl]phenyl] Benzoate|4-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl benzoate
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.7237 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 684.7445 |
Chemical Identifiers
| CAS Number | 477734-37-5 |
|---|---|
| SMILES | CCNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
Product Overview
[4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate (CAS 477734-37-5), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: [4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate.
Chemical Property Profile of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
Property Insights of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
The XLogP value of 2.7237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate. Following Lipinski's Rule of Five, [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate 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 [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The CAS number of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is 477734-37-5.
What is the molecular formula of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The molecular formula of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is C17H17N3O2S.
What is the molecular weight of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The molecular weight of [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is 327.10 g/mol.
Where can I buy [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
You can request a quote for [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(Ethylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.