6,7-Dichloro-5,8-phthalazinedione
TL;DR: 6,7-Dichloro-5,8-phthalazinedione (CAS 102072-85-5) is a chemical compound with molecular formula C8H2Cl2N2O2 and molecular weight 227.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichlorophthalazine-5,8-dione
Also Known As: 6,7-dichlorophthalazine-5,8-dione, 6,7-Dichloro-5,8-phthalazinedione, 5,8-Phthalazinedione, 6,7-dichloro-, 6,7-Dichloro-phthalazine-5,8-dione, 6,7-dichloro-5,8-dihydrophthalazine-5,8-dione
| Molecular Formula | C8H2Cl2N2O2 |
|---|---|
| Molecular Weight | 227.95 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.94933 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 102072-85-5 |
|---|---|
| SMILES | C1=C2C(=CN=N1)C(=O)C(=C(C2=O)Cl)Cl |
| InChIKey | UUBDFUMHESGMLX-UHFFFAOYSA-N |
Product Overview
6,7-Dichloro-5,8-phthalazinedione (CAS 102072-85-5), with molecular formula C8H2Cl2N2O2 and molecular weight 227.95 g/mol. IUPAC: 6,7-dichlorophthalazine-5,8-dione.
Chemical Property Profile of 6,7-Dichloro-5,8-phthalazinedione
Property Insights of 6,7-Dichloro-5,8-phthalazinedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dichloro-5,8-phthalazinedione. With a topological polar surface area (TPSA) of 59.9 Ų, 6,7-Dichloro-5,8-phthalazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dichloro-5,8-phthalazinedione has 0 hydrogen bond donor(s) and 4 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 6,7-Dichloro-5,8-phthalazinedione?
The CAS number of 6,7-Dichloro-5,8-phthalazinedione is 102072-85-5.
What is the molecular formula of 6,7-Dichloro-5,8-phthalazinedione?
The molecular formula of 6,7-Dichloro-5,8-phthalazinedione is C8H2Cl2N2O2.
What is the molecular weight of 6,7-Dichloro-5,8-phthalazinedione?
The molecular weight of 6,7-Dichloro-5,8-phthalazinedione is 227.95 g/mol.
Where can I buy 6,7-Dichloro-5,8-phthalazinedione?
You can request a quote for 6,7-Dichloro-5,8-phthalazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dichloro-5,8-phthalazinedione?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dichloro-5,8-phthalazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.