![2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/843/843633-23-8.png)
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 843633-23-8) is a chemical compound with molecular formula C21H20N6OS2 and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methylsulfanyl]-1,3-benzoxazole
Also Known As: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(((9-isopropyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole
| Molecular Formula | C21H20N6OS2 |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 4.539 |
| Topological Polar Surface Area | 72.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.114 |
| Heavy Atoms | 30 |
| Complexity | 1351.7124 |
Chemical Identifiers
| CAS Number | 843633-23-8 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5 |
Product Overview
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 843633-23-8), with molecular formula C21H20N6OS2 and molecular weight 436.11 g/mol. IUPAC: 2-[(13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methylsulfanyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.539 indicates that 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[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 72.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 8 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 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 843633-23-8.
What is the molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C21H20N6OS2.
What is the molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 436.11 g/mol.
Where can I buy 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[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]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[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]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[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.