3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
TL;DR: 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 318958-88-2) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-4-phenylpyrazol-5-amine
Also Known As: Bionet2_000343, 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione, 2-(1,1-dioxothiolan-3-yl)-4-phenylpyrazol-3-amine, 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione, 2-(1,1-dioxothiolan-3-yl)-4-phenyl-pyrazol-3-amine
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 1.4919 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 691.93335 |
Chemical Identifiers
| CAS Number | 318958-88-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=C(C=N2)C3=CC=CC=C3)N |
Product Overview
3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 318958-88-2), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-4-phenylpyrazol-5-amine.
Chemical Property Profile of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Property Insights of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
The XLogP value of 1.4919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione. Following Lipinski's Rule of Five, 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione has 1 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 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione?
The CAS number of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione is 318958-88-2.
What is the molecular formula of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular formula of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione is C13H15N3O2S.
What is the molecular weight of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular weight of 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione is 277.09 g/mol.
Where can I buy 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione?
You can request a quote for 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.