![1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one structure](/static/products/900/900900-89-2.png)
1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one
TL;DR: 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one (CAS 900900-89-2) is a chemical compound with molecular formula C20H18BrN5OS2 and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-3-(4-bromophenyl)propan-2-one
Also Known As: 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one, 1-[(5-amino-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-3-(4-bromophenyl)propan-2-one
| Molecular Formula | C20H18BrN5OS2 |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 4.4664 |
| Topological Polar Surface Area | 86.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.0136 |
| Heavy Atoms | 29 |
| Complexity | 1231.6091 |
Chemical Identifiers
| CAS Number | 900900-89-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)CC5=CC=C(C=C5)Br)N |
Product Overview
1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one (CAS 900900-89-2), with molecular formula C20H18BrN5OS2 and molecular weight 487.01 g/mol. IUPAC: 1-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-3-(4-bromophenyl)propan-2-one.
Chemical Property Profile of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one
Property Insights of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one
The XLogP value of 4.4664 indicates that 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one. Following Lipinski's Rule of Five, 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one has 1 hydrogen bond donor(s) and 7 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 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one?
The CAS number of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one is 900900-89-2.
What is the molecular formula of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one?
The molecular formula of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one is C20H18BrN5OS2.
What is the molecular weight of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one?
The molecular weight of 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one is 487.01 g/mol.
Where can I buy 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one?
You can request a quote for 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-amino-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-3-(4-bromophenyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.