![[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate structure](/static/products/5864/58640-72-5.webp)
[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
TL;DR: [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate (CAS 58640-72-5) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
Also Known As: 2-[2-(aminocarbothioyl)carbohydrazonoyl]phenyl 4-methylbenzoate, [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.38132 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 711.5858 |
Chemical Identifiers
| CAS Number | 58640-72-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=N\NC(=S)N |
Product Overview
[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate (CAS 58640-72-5), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
Property Insights of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
The XLogP value of 2.38132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate 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 [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate?
The CAS number of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate is 58640-72-5.
What is the molecular formula of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate?
The molecular formula of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate is C16H15N3O2S.
What is the molecular weight of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate?
The molecular weight of [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate is 313.09 g/mol.
Where can I buy [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate?
You can request a quote for [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.