2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid
TL;DR: 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid (CAS 383372-79-0) is a chemical compound with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylsulfanyl]acetic acid
Also Known As: 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid, 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiocarbamoylsulfanyl]acetic Acid, 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylsulfanyl]acetic acid, {[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]sulfanyl}acetic acid
| Molecular Formula | C14H15N3O3S2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.05548 |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 383372-79-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC(=O)O |
| InChIKey | HMQZQABPKUECKR-UHFFFAOYSA-N |
Product Overview
2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid (CAS 383372-79-0), with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol. IUPAC: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylsulfanyl]acetic acid.
Chemical Property Profile of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid
Property Insights of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid has 2 hydrogen bond donor(s) and 6 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-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid?
The CAS number of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid is 383372-79-0.
What is the molecular formula of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid?
The molecular formula of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid is C14H15N3O3S2.
What is the molecular weight of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid?
The molecular weight of 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid is 337.06 g/mol.
Where can I buy 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid?
You can request a quote for 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.