![2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/848/848689-50-9.png)
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 848689-50-9) is a chemical compound with molecular formula C30H21N7O2S and molecular weight 543.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-14-methyl-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
Also Known As: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((benzo[d]oxazol-2-ylthio)methyl)-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C30H21N7O2S |
|---|---|
| Molecular Weight | 543.15 g/mol |
| LogP | 6.33782 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.14777 |
| Heavy Atoms | 40 |
| Complexity | 1981.6367 |
Chemical Identifiers
| CAS Number | 848689-50-9 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C7=CC=CC=C7)C8=CC=CC=C8 |
Product Overview
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 848689-50-9), with molecular formula C30H21N7O2S and molecular weight 543.15 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-14-methyl-12,16-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene.
Chemical Property Profile of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 6.33782 indicates that 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 848689-50-9.
What is the molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C30H21N7O2S.
What is the molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 543.15 g/mol.
Where can I buy 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-10-methyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.