3-isopropyl-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-isopropyl-2-mercaptoquinazolin-4(3H)-one (CAS 21038-90-4) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-isopropyl-2-mercaptoquinazolin-4(3H)-one, ChemDiv3_012989, 3-Isopropyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(propan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-propan-2-yl-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.63999 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 609.7494 |
Chemical Identifiers
| CAS Number | 21038-90-4 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-isopropyl-2-mercaptoquinazolin-4(3H)-one (CAS 21038-90-4), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 3-propan-2-yl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 2.63999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isopropyl-2-mercaptoquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-isopropyl-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isopropyl-2-mercaptoquinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 2 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-isopropyl-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one is 21038-90-4.
What is the molecular formula of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one is C11H12N2OS.
What is the molecular weight of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-isopropyl-2-mercaptoquinazolin-4(3H)-one is 220.07 g/mol.
Where can I buy 3-isopropyl-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-isopropyl-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-isopropyl-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isopropyl-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.