6-Chlorotetraazolo(5,1-a)phthalazine
TL;DR: 6-Chlorotetraazolo(5,1-a)phthalazine (CAS 52494-54-9) is a chemical compound with molecular formula C8H4ClN5 and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorotetrazolo[5,1-a]phthalazine
Also Known As: 6-Chlorotetraazolo(5,1-a)phthalazine, 6-chlorotetrazolo[5,1-a]phthalazine, Tetrazolo[5,1-a]phthalazine, 6-chloro-, 6-Chlorotetraazolo[5,1-a]phthalazine, 6-Chlorotetraazolo[5,1-a]phthalazine #
| Molecular Formula | C8H4ClN5 |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.01552 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 52494-54-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NN=NN3N=C2Cl |
| InChIKey | AMLJDEYMDUHUAS-UHFFFAOYSA-N |
Product Overview
6-Chlorotetraazolo(5,1-a)phthalazine (CAS 52494-54-9), with molecular formula C8H4ClN5 and molecular weight 205.02 g/mol. IUPAC: 6-chlorotetrazolo[5,1-a]phthalazine.
Chemical Property Profile of 6-Chlorotetraazolo(5,1-a)phthalazine
Property Insights of 6-Chlorotetraazolo(5,1-a)phthalazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorotetraazolo(5,1-a)phthalazine. With a topological polar surface area (TPSA) of 56.0 Ų, 6-Chlorotetraazolo(5,1-a)phthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorotetraazolo(5,1-a)phthalazine 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-Chlorotetraazolo(5,1-a)phthalazine?
The CAS number of 6-Chlorotetraazolo(5,1-a)phthalazine is 52494-54-9.
What is the molecular formula of 6-Chlorotetraazolo(5,1-a)phthalazine?
The molecular formula of 6-Chlorotetraazolo(5,1-a)phthalazine is C8H4ClN5.
What is the molecular weight of 6-Chlorotetraazolo(5,1-a)phthalazine?
The molecular weight of 6-Chlorotetraazolo(5,1-a)phthalazine is 205.02 g/mol.
Where can I buy 6-Chlorotetraazolo(5,1-a)phthalazine?
You can request a quote for 6-Chlorotetraazolo(5,1-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-Chlorotetraazolo(5,1-a)phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorotetraazolo(5,1-a)phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.