4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid
TL;DR: 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid (CAS 315671-29-5) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-4-oxobutanoic acid
Also Known As: starbld0023390, 4-oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid, 4-oxo-4-[2-(4-toluidinocarbothioyl)hydrazino]butanoic acid, AN-329/40250874, F3146-3849
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 1.17742 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 473.61288 |
Chemical Identifiers
| CAS Number | 315671-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)O |
Product Overview
4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid (CAS 315671-29-5), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 4-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-4-oxobutanoic acid.
Chemical Property Profile of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid
Property Insights of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid
The XLogP value of 1.17742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid has 4 hydrogen bond donor(s) and 3 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-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid?
The CAS number of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid is 315671-29-5.
What is the molecular formula of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid?
The molecular formula of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid is C12H15N3O3S.
What is the molecular weight of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid?
The molecular weight of 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid is 281.08 g/mol.
Where can I buy 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid?
You can request a quote for 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(2-(p-tolylcarbamothioyl)hydrazinyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.