![2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/1005/1005556-27-3.webp)
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005556-27-3) is a chemical compound with molecular formula C20H15BrN6S and molecular weight 450.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(4-((4-bromo-1H-pyrazol-1-yl)methyl)phenyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H15BrN6S |
|---|---|
| Molecular Weight | 450.03 g/mol |
| LogP | 4.502 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.02625 |
| Heavy Atoms | 28 |
| Complexity | 1330.5145 |
Chemical Identifiers
| CAS Number | 1005556-27-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(C=C5)CN6C=C(C=N6)Br |
Product Overview
2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005556-27-3), with molecular formula C20H15BrN6S and molecular weight 450.03 g/mol. IUPAC: 4-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.
Chemical Property Profile of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.502 indicates that 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[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 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 5 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-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 1005556-27-3.
What is the molecular formula of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C20H15BrN6S.
What is the molecular weight of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 450.03 g/mol.
Where can I buy 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[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-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9,10-dihydro-8H-cyclopenta[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.