![6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine structure](/static/products/5249/52494-53-8.webp)
6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine
TL;DR: 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine (CAS 52494-53-8) is a chemical compound with molecular formula C9H5ClN4 and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine, 6-chloro[1,2,4]triazolo[3,4-a]phthalazine, TIMTEC-BB SBB011092, 4932AE, 6-Chloro1,2,4triazolo3,4-Aphthalazine
| Molecular Formula | C9H5ClN4 |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.02028 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 52494-53-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NN=CN3N=C2Cl |
| InChIKey | BSXQUTKJCQAPNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine (CAS 52494-53-8), with molecular formula C9H5ClN4 and molecular weight 204.02 g/mol. IUPAC: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine
Property Insights of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine. With a topological polar surface area (TPSA) of 43.1 Ų, 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine has 0 hydrogen bond donor(s) and 3 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-Chloro-[1,2,4]triazolo[3,4-a]phthalazine?
The CAS number of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine is 52494-53-8.
What is the molecular formula of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine?
The molecular formula of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine is C9H5ClN4.
What is the molecular weight of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine?
The molecular weight of 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine is 204.02 g/mol.
Where can I buy 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine?
You can request a quote for 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.