1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine
TL;DR: 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine (CAS 312533-75-8) is a chemical compound with molecular formula C16H11N3S2 and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphthalazin-1-yl)sulfanyl-1,3-benzothiazole
Also Known As: 2-(4-methylphthalazinylthio)benzothiazole, 1-(1,3-benzothiazol-2-ylsulfanyl)-4-methylphthalazine, 2-(4-methylphthalazin-1-yl)sulfanyl-1,3-benzothiazole, 1,3-benzothiazol-2-yl (4-methyl-1-phthalazinyl) sulfide, A2030/0085240
| Molecular Formula | C16H11N3S2 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 4.69912 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03943 |
| Heavy Atoms | 21 |
| Complexity | 913.4797 |
Chemical Identifiers
| CAS Number | 312533-75-8 |
|---|---|
| SMILES | CC1=NN=C(C2=CC=CC=C12)SC3=NC4=CC=CC=C4S3 |
Product Overview
1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine (CAS 312533-75-8), with molecular formula C16H11N3S2 and molecular weight 309.04 g/mol. IUPAC: 2-(4-methylphthalazin-1-yl)sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine
Property Insights of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine
The XLogP value of 4.69912 indicates that 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine has 0 hydrogen bond donor(s) and 5 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 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine?
The CAS number of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine is 312533-75-8.
What is the molecular formula of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine?
The molecular formula of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine is C16H11N3S2.
What is the molecular weight of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine?
The molecular weight of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine is 309.04 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine?
You can request a quote for 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-methylphthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.