3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one (CAS 1001519-24-9) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one, 3-[3-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-2-mercapto-3H-quinazolin-4-one, 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.96273 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 935.20416 |
Chemical Identifiers
| CAS Number | 1001519-24-9 |
|---|---|
| SMILES | CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C |
Product Overview
3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one (CAS 1001519-24-9), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 2.96273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 55.61 Ų, 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one 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 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 1001519-24-9.
What is the molecular formula of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is C16H18N4OS.
What is the molecular weight of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 314.12 g/mol.
Where can I buy 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.