5-Chloroquinazoline-2,4-diol
TL;DR: 5-Chloroquinazoline-2,4-diol (CAS 78754-81-1) 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.
5-chloro-1H-quinazoline-2,4-dione
Also Known As: 5-Chloroquinazoline-2,4-diol, 5-chloroquinazoline-2,4(1H,3H)-dione, 5-chloro-1H-quinazoline-2,4-dione, 5-chloroquinazolin-2,4-dione, 5-chloro-2,4(1H,3H)-Quinazolinedione
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 1.1 |
| 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 | 78754-81-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)NC(=O)N2 |
| InChIKey | ASCKCOHWDCSDCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloroquinazoline-2,4-diol (CAS 78754-81-1), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 5-chloro-1H-quinazoline-2,4-dione.
Chemical Property Profile of 5-Chloroquinazoline-2,4-diol
Property Insights of 5-Chloroquinazoline-2,4-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloroquinazoline-2,4-diol. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Chloroquinazoline-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloroquinazoline-2,4-diol 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 5-Chloroquinazoline-2,4-diol?
The CAS number of 5-Chloroquinazoline-2,4-diol is 78754-81-1.
What is the molecular formula of 5-Chloroquinazoline-2,4-diol?
The molecular formula of 5-Chloroquinazoline-2,4-diol is C8H5ClN2O2.
What is the molecular weight of 5-Chloroquinazoline-2,4-diol?
The molecular weight of 5-Chloroquinazoline-2,4-diol is 196.00 g/mol.
Where can I buy 5-Chloroquinazoline-2,4-diol?
You can request a quote for 5-Chloroquinazoline-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloroquinazoline-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloroquinazoline-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.