7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 422526-53-2) is a chemical compound with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: F0916-6017, 7-chloro-3-(2-dimethylaminoethyl)-2-sulfanylidene-1H-quinazolin-4-one, 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 7-Chloro-3-[2-(dimethylamino)ethyl]-2,3-dihydro-2-thioxo-4(1H)-quinazolinone, 7-chloro-3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C12H14ClN3OS |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 2.27409 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0546 |
| Heavy Atoms | 18 |
| Complexity | 689.7625 |
Chemical Identifiers
| CAS Number | 422526-53-2 |
|---|---|
| SMILES | CN(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 422526-53-2), with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol. IUPAC: 7-chloro-3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.27409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 41.03 Ų, 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-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 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 422526-53-2.
What is the molecular formula of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is C12H14ClN3OS.
What is the molecular weight of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one is 283.05 g/mol.
Where can I buy 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 7-chloro-3-(2-(dimethylamino)ethyl)-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 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-3-(2-(dimethylamino)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.