4-chlorophthalazin-1(2H)-one
TL;DR: 4-chlorophthalazin-1(2H)-one (CAS 2257-69-4) is a chemical compound with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2H-phthalazin-1-one
Also Known As: 4-chlorophthalazin-1(2H)-one, 4-chloro-2H-phthalazin-1-one, 4-chlorophthalazin-1-ol, 4-CHLORO-1,2-DIHYDROPHTHALAZIN-1-ONE, 4-chlorophthalazone
| Molecular Formula | C8H5ClN2O |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 1.5765 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.00903 |
| Heavy Atoms | 12 |
| Complexity | 477.6867 |
Chemical Identifiers
| CAS Number | 2257-69-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NN=C2Cl |
Product Overview
4-chlorophthalazin-1(2H)-one (CAS 2257-69-4), with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol. IUPAC: 4-chloro-2H-phthalazin-1-one.
Chemical Property Profile of 4-chlorophthalazin-1(2H)-one
Property Insights of 4-chlorophthalazin-1(2H)-one
The XLogP value of 1.5765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chlorophthalazin-1(2H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 4-chlorophthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorophthalazin-1(2H)-one 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
Frequently Asked Questions
What is the CAS number of 4-chlorophthalazin-1(2H)-one?
The CAS number of 4-chlorophthalazin-1(2H)-one is 2257-69-4.
What is the molecular formula of 4-chlorophthalazin-1(2H)-one?
The molecular formula of 4-chlorophthalazin-1(2H)-one is C8H5ClN2O.
What is the molecular weight of 4-chlorophthalazin-1(2H)-one?
The molecular weight of 4-chlorophthalazin-1(2H)-one is 180.01 g/mol.
Where can I buy 4-chlorophthalazin-1(2H)-one?
You can request a quote for 4-chlorophthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorophthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorophthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.