2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one
TL;DR: 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one (CAS 946787-47-9) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one, 2-Mercapto-3-((tetrahydrofuran-2-yl)methyl)quinazolin-4(3H)-one, 2-Mercapto-3-(tetrahydrofuran-2-ylmethyl)-quinazolin-4(3H)-one, 3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.23809 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 683.1861 |
Chemical Identifiers
| CAS Number | 946787-47-9 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one (CAS 946787-47-9), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one
Property Insights of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one
The XLogP value of 2.23809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 47.02 Ų, 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-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 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one?
The CAS number of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one is 946787-47-9.
What is the molecular formula of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one?
The molecular formula of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one is C13H14N2O2S.
What is the molecular weight of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one?
The molecular weight of 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one is 262.08 g/mol.
Where can I buy 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one?
You can request a quote for 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-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 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.