![methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate structure](/static/products/387/387847-46-3.png)
methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate
TL;DR: methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate (CAS 387847-46-3) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
Also Known As: (E)-methyl 4-((2-((2-carbamothioylhydrazono)methyl)phenoxy)methyl)benzoate, methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.2193 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 745.0009 |
Chemical Identifiers
| CAS Number | 387847-46-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=S)N |
Product Overview
methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate (CAS 387847-46-3), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: methyl 4-[[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate
Property Insights of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate
The XLogP value of 2.2193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate has 2 hydrogen bond donor(s) and 5 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 methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate?
The CAS number of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate is 387847-46-3.
What is the molecular formula of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate?
The molecular formula of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate is C17H17N3O3S.
What is the molecular weight of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate?
The molecular weight of methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate is 343.10 g/mol.
Where can I buy methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate?
You can request a quote for methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenoxy}methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.