6-Chloroquinazoline-2,4(1H,3H)-dione
TL;DR: 6-Chloroquinazoline-2,4(1H,3H)-dione (CAS 1640-60-4) is a chemical compound with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1H-quinazoline-2,4-dione
Also Known As: 6-Chloroquinazoline-2,4(1H,3H)-dione, 6-chloro-1H-quinazoline-2,4-dione, 6-CHLOROQUINAZOLINE-2,4-DIONE, 6-chloroquinazoline-2,4-diol, 6-Chloro-quinazoline-2,4-diol
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 1640-60-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)NC(=O)N2 |
| InChIKey | IGWJEWGQUFOVDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloroquinazoline-2,4(1H,3H)-dione (CAS 1640-60-4), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 6-chloro-1H-quinazoline-2,4-dione.
Chemical Property Profile of 6-Chloroquinazoline-2,4(1H,3H)-dione
Property Insights of 6-Chloroquinazoline-2,4(1H,3H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloroquinazoline-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 6-Chloroquinazoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloroquinazoline-2,4(1H,3H)-dione has 2 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 6-Chloroquinazoline-2,4(1H,3H)-dione?
The CAS number of 6-Chloroquinazoline-2,4(1H,3H)-dione is 1640-60-4.
What is the molecular formula of 6-Chloroquinazoline-2,4(1H,3H)-dione?
The molecular formula of 6-Chloroquinazoline-2,4(1H,3H)-dione is C8H5ClN2O2.
What is the molecular weight of 6-Chloroquinazoline-2,4(1H,3H)-dione?
The molecular weight of 6-Chloroquinazoline-2,4(1H,3H)-dione is 196.00 g/mol.
Where can I buy 6-Chloroquinazoline-2,4(1H,3H)-dione?
You can request a quote for 6-Chloroquinazoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloroquinazoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloroquinazoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.