![5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/877/877781-00-5.png)
5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877781-00-5) is a chemical compound with molecular formula C29H30N6S and molecular weight 494.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-benzhydrylpiperazin-1-yl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 5-[4-(diphenylmethyl)piperazin-1-yl]-11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C29H30N6S |
|---|---|
| Molecular Weight | 494.23 g/mol |
| LogP | 5.6904 |
| Topological Polar Surface Area | 49.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.22528 |
| Heavy Atoms | 36 |
| Complexity | 1461.4156 |
Chemical Identifiers
| CAS Number | 877781-00-5 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N=C(N4C3=NC=N4)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877781-00-5), with molecular formula C29H30N6S and molecular weight 494.23 g/mol. IUPAC: 7-(4-benzhydrylpiperazin-1-yl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 5.6904 indicates that 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[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. With a topological polar surface area (TPSA) of 49.56 Ų, 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 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 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 877781-00-5.
What is the molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C29H30N6S.
What is the molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 494.23 g/mol.
Where can I buy 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[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 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzhydrylpiperazin-1-yl)-11-methyl-8,9,10,11-tetrahydrobenzo[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.