4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione
TL;DR: 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione (CAS 604754-58-7) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione
Also Known As: ASN 06481338, 4-(3,5-Dimethyl-pyrazol-1-yl)-phthalazine-1-thiol, 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione, 1(2H)-Phthalazinethione, 4-(3,5-dimethyl-1H-pyrazol-1-yl)- (9CI)
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.09493 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 785.03076 |
Chemical Identifiers
| CAS Number | 604754-58-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NNC(=S)C3=CC=CC=C32)C |
Product Overview
4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione (CAS 604754-58-7), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione.
Chemical Property Profile of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione
Property Insights of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione
The XLogP value of 3.09493 indicates that 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione has 1 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-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione?
The CAS number of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione is 604754-58-7.
What is the molecular formula of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione?
The molecular formula of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione is C13H12N4S.
What is the molecular weight of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione?
The molecular weight of 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione is 256.08 g/mol.
Where can I buy 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione?
You can request a quote for 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-dimethylpyrazol-1-yl)-2H-phthalazine-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.