![Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate structure](/static/products/7082/708243-83-8.webp)
Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate
TL;DR: Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate (CAS 708243-83-8) is a chemical compound with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate
Also Known As: methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate, methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate, methyl 4-(2-(3-methylbutanoyl)hydrazinecarbothioamido)benzoate, methyl 4-({[(3-methylbutanoylamino)amino]thioxomethyl}amino)benzoate, methyl 4-({[2-(3-methylbutanoyl)hydrazinyl]carbonothioyl}amino)benzoate
| Molecular Formula | C14H19N3O3S |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 1.8369 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11472 |
| Heavy Atoms | 21 |
| Complexity | 514.70044 |
Chemical Identifiers
| CAS Number | 708243-83-8 |
|---|---|
| SMILES | CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate (CAS 708243-83-8), with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol. IUPAC: methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate
Property Insights of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate
The XLogP value of 1.8369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[2-(3-methylbutanoyl)hydrazino]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-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate?
The CAS number of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate is 708243-83-8.
What is the molecular formula of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate is C14H19N3O3S.
What is the molecular weight of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate is 309.11 g/mol.
Where can I buy Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[2-(3-methylbutanoyl)hydrazino]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-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[2-(3-methylbutanoyl)hydrazino]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.