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Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate
TL;DR: Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate (CAS 708288-48-6) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzamidocarbamothioylamino)benzoate
Also Known As: methyl 4-(benzamidocarbamothioylamino)benzoate, methyl 4-(2-benzoylhydrazinecarbothioamido)benzoate, methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate, methyl 4-({[(phenylcarbonylamino)amino]thioxomethyl}amino)benzoate, METHYL 4-{[(2-BENZOYLHYDRAZINO)CARBOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 708288-48-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2 |
| InChIKey | UJFCIOTZSVBKRG-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate (CAS 708288-48-6), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: methyl 4-(benzamidocarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate
Property Insights of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate has 3 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 Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate is 708288-48-6.
What is the molecular formula of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate is C16H15N3O3S.
What is the molecular weight of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate is 329.08 g/mol.
Where can I buy Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}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-benzoylhydrazino)carbonothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(2-benzoylhydrazino)carbonothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.