1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine
TL;DR: 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine (CAS 374545-62-7) is a chemical compound with molecular formula C21H12ClN3S2 and molecular weight 405.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole
Also Known As: 1-(1,3-benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine, 2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole, 2-((4-(4-chlorophenyl)phthalazin-1-yl)thio)benzo[d]thiazole
| Molecular Formula | C21H12ClN3S2 |
|---|---|
| Molecular Weight | 405.02 g/mol |
| LogP | 6.7111 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.0161 |
| Heavy Atoms | 27 |
| Complexity | 1232.6625 |
Chemical Identifiers
| CAS Number | 374545-62-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl |
Product Overview
1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine (CAS 374545-62-7), with molecular formula C21H12ClN3S2 and molecular weight 405.02 g/mol. IUPAC: 2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine
Property Insights of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine
The XLogP value of 6.7111 indicates that 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine 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-(4-chlorophenyl)phthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine?
The CAS number of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine is 374545-62-7.
What is the molecular formula of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine?
The molecular formula of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine is C21H12ClN3S2.
What is the molecular weight of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine?
The molecular weight of 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine is 405.02 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine?
You can request a quote for 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine 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-(4-chlorophenyl)phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.