3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one (CAS 1005563-76-7) is a chemical compound with molecular formula C15H15ClN4OS and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one, 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-(4-Chloro-3-methyl-1h-pyrazol-1-yl)propyl)-2-thioxo-2,3-dihydroquinazolin-4(1h)-one, 3-[3-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPYL]-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
| Molecular Formula | C15H15ClN4OS |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 3.30771 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.06552 |
| Heavy Atoms | 22 |
| Complexity | 921.1008 |
Chemical Identifiers
| CAS Number | 1005563-76-7 |
|---|---|
| SMILES | CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one (CAS 1005563-76-7), with molecular formula C15H15ClN4OS and molecular weight 334.07 g/mol. IUPAC: 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 3.30771 indicates that 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 3-(3-(4-Chloro-3-methyl-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-(4-Chloro-3-methyl-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-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 1005563-76-7.
What is the molecular formula of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is C15H15ClN4OS.
What is the molecular weight of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one is 334.07 g/mol.
Where can I buy 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-(3-(4-Chloro-3-methyl-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-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-Chloro-3-methyl-1H-pyrazol-1-yl)propyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.