1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine
TL;DR: 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine (CAS 361998-00-7) is a chemical compound with molecular formula C22H15N3O2S and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole
Also Known As: ChemDiv1_006329, 1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine, 2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole, 1-(1,3-benzoxazol-2-ylthio)-4-(4-methoxyphenyl)phthalazine, 2-((4-(4-methoxyphenyl)phthalazin-1-yl)thio)benzo[d]oxazole
| Molecular Formula | C22H15N3O2S |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 5.5978 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0885 |
| Heavy Atoms | 28 |
| Complexity | 1249.2158 |
Chemical Identifiers
| CAS Number | 361998-00-7 |
|---|---|
| SMILES | COC1=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-(4-methoxyphenyl)phthalazine (CAS 361998-00-7), with molecular formula C22H15N3O2S and molecular weight 385.09 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole.
Chemical Property Profile of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine
Property Insights of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine
The XLogP value of 5.5978 indicates that 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine. Following Lipinski's Rule of Five, 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine has 0 hydrogen bond donor(s) and 6 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-(4-methoxyphenyl)phthalazine?
The CAS number of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine is 361998-00-7.
What is the molecular formula of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine?
The molecular formula of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine is C22H15N3O2S.
What is the molecular weight of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine?
The molecular weight of 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine is 385.09 g/mol.
Where can I buy 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine?
You can request a quote for 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)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-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-methoxyphenyl)phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.