3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 111631-31-3) is a chemical compound with molecular formula C10H9IN2OS and molecular weight 331.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-ethyl-6-iodo-2-mercaptoquinazolin-4(3H)-one, 3-ethyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one, 6-Iodo-3-ethyl-2-thioxo-4(3H)quinazolinone, 4(1H)-Quinazolinone, 3-ethyl-2,3-dihydro-6-iodo-2-thioxo-
| Molecular Formula | C10H9IN2OS |
|---|---|
| Molecular Weight | 331.95 g/mol |
| LogP | 2.68359 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.94803 |
| Heavy Atoms | 15 |
| Complexity | 629.3355 |
Chemical Identifiers
| CAS Number | 111631-31-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C=CC(=C2)I)NC1=S |
Product Overview
3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 111631-31-3), with molecular formula C10H9IN2OS and molecular weight 331.95 g/mol. IUPAC: 3-ethyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.68359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-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-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 111631-31-3.
What is the molecular formula of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C10H9IN2OS.
What is the molecular weight of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 331.95 g/mol.
Where can I buy 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-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-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-6-iodo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.