3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
TL;DR: 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione (CAS 5081-87-8) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroethyl)-1H-quinazoline-2,4-dione
Also Known As: 3-(2-chloroethyl)quinazoline-2,4(1h,3h)-dione, 3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione, germane,palladium, 3-(2-chloroethyl)-1H-quinazoline-2,4-dione, Iron(III) oxide hydrate, 99%
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.03525 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.03525 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCl |
| InChIKey | HWFSVCPXNLEACG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
Property Insights of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione 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
What is the CAS number of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione?
The CAS number of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione is 5081-87-8.
What is the molecular formula of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione?
The molecular formula of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione is C10H9ClN2O2.
What is the molecular weight of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione?
The molecular weight of 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione is 224.03525 g/mol.
Where can I buy 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione?
You can request a quote for 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.