1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine
TL;DR: 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine (CAS 312533-72-5) is a chemical compound with molecular formula C21H13N3OS and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole
Also Known As: BAS 01026145, 2-(4-phenylphthalazinylthio)benzoxazole, 1-(1,3-benzoxazol-2-ylsulfanyl)-4-phenylphthalazine, 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole, 1-(Benzooxazol-2-ylsulfanyl)-4-phenyl-phthalazine
| Molecular Formula | C21H13N3OS |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 5.5892 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.07794 |
| Heavy Atoms | 26 |
| Complexity | 1184.8258 |
Chemical Identifiers
| CAS Number | 312533-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4 |
Product Overview
1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine (CAS 312533-72-5), with molecular formula C21H13N3OS and molecular weight 355.08 g/mol. IUPAC: 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole.
Chemical Property Profile of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine
Property Insights of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine
The XLogP value of 5.5892 indicates that 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine 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-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine?
The CAS number of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine is 312533-72-5.
What is the molecular formula of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine?
The molecular formula of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine is C21H13N3OS.
What is the molecular weight of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine?
The molecular weight of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine is 355.08 g/mol.
Where can I buy 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine?
You can request a quote for 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine 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-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-phenylphthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.