3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one
TL;DR: 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one (CAS 734544-88-8) is a chemical compound with molecular formula C10H12N2OS and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one
Also Known As: 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one, 3-ethyl-2-sulfanylidene-1,2,3,4,4a,8a-hexahydroquinazolin-4-one, 3-ethyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one, 4(1H)-Quinazolinone, 3-ethyl-2,3,4a,8a-tetrahydro-2-thioxo- (9CI)
| Molecular Formula | C10H12N2OS |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.8338 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.06703 |
| Heavy Atoms | 14 |
| Complexity | 335.0137 |
Chemical Identifiers
| CAS Number | 734544-88-8 |
|---|---|
| SMILES | CCN1C(=O)C2C=CC=CC2NC1=S |
Product Overview
3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one (CAS 734544-88-8), with molecular formula C10H12N2OS and molecular weight 208.07 g/mol. IUPAC: 3-ethyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one.
Chemical Property Profile of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one
Property Insights of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one
The XLogP value of 0.8338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one. With a topological polar surface area (TPSA) of 32.34 Ų, 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-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-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one?
The CAS number of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one is 734544-88-8.
What is the molecular formula of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one?
The molecular formula of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one is C10H12N2OS.
What is the molecular weight of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one?
The molecular weight of 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one is 208.07 g/mol.
Where can I buy 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one?
You can request a quote for 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-thioxo-1,2,3,8a-tetrahydroquinazolin-4(4aH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.